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Hydroflumethiazide
135-09-1 | DTXSID3023132

Searched by CAS-RN: Found 1 result for '135-09-1'.

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Intrinsic Properties

Molecular Formula: C8H8F3N3O4S2

Average Mass: 331.28 g/mol

Monoisotopic Mass: 330.990833 g/mol

Structural Identifiers

IUPAC Name: 1,1-Dioxo-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1lambda6,2,4-benzothiadiazine-7-sulfonamide

SMILES: NS(=O)(=O)C1=C(C=C2NCNS(=O)(=O)C2=C1)C(F)(F)F

InChI String: InChI=1S/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16)

InChIKey: DMDGGSIALPNSEE-UHFFFAOYSA-N

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Structural Skeleton Full Structure

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Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID3023132 (accessed July 22, 2018), Hydroflumethiazide

Data Quality

Level 1:Expert curated, highest confidence in accuracy and consistency of unique chemical identifiers

Level 2:Expert curated, unique chemical identifiers using multiple sources

Level 3:Programmatically curated from high quality EPA source, unique chemical identifiers have no conflicts in ChemID and PubChem

Level 4:Programmatically curated from ChemID, unique chemical identifiers have no conflicts in PubChem

Level 5:Programmatically curated from ACToR or PubChem, unique chemical identifiers with low confidence, single public source

No Quality Control Notes.

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

0.36 (1)

2.71e-01 (5)

-

2.38e-01

0.36

1.63e-01 to 3.75e-01

-

Water Solubility

9.06e-04 (1)

2.51e-03 (4)

-

1.37e-03

9.06e-04

1.06e-03 to 6.25e-03

mol/L

Density

-

1.69 (2)

-

1.69

-

1.68 to 1.70

g/cm^3

Flash Point

-

282 (2)

-

282

-

275 to 288

°C

Melting Point

271 (4)

239 (4)

271

247

271 to 273

195 to 265

°C

Boiling Point

-

389 (4)

-

385

-

255 to 532

°C

Surface Tension

-

47.5 (1)

- - - -

dyn/cm

Vapor Pressure

-

7.41e-10 (4)

-

4.53e-11

-

1.55e-11 to 2.86e-09

mmHg

LogKoa: Octanol-Air

-

8.32 (1)

- - - - -

Henry's Law

-

2.53e-10 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.55 (1)

- - - - -

Molar Refractivity

-

62.9 (1)

- - - -

cm^3

Molar Volume

-

197 (1)

- - - -

cm^3

Polarizability

-

24.9 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental

0.36 (1)

-

0.36

Predicted

2.71e-01 (5)

2.38e-01

1.63e-01 to 3.75e-01

Experimental

Source

Result

PhysPropNCCT

0.36

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

0.22

Not Available

Not Available

NICEATM

1.63e-01

Not Available

Available

ACD/Labs Consensus

2.38e-01

Not Available

Not Available

ACD/Labs

0.36

Not Available

Not Available

OPERA

3.75e-01

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental

9.06e-04 (1)

-

9.06e-04

Predicted

2.51e-03 (4)

1.37e-03

1.06e-03 to 6.25e-03

Experimental

Source

Result

PhysPropNCCT

9.06e-04 mol/L

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.06e-03 mol/L

Not Available

Not Available

NICEATM

1.55e-03 mol/L

Not Available

Available

OPERA

1.20e-03 mol/L

OPERA Model Report

Available

TEST

6.25e-03 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.69 (2)

1.69

1.68 to 1.70

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.68 g/cm^3

Not Available

Not Available

TEST

1.70 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

282 (2)

282

275 to 288

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

275 °C

Not Available

Not Available

TEST

288 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

271 (4)

271

271 to 273

Predicted

239 (4)

247

195 to 265

Experimental

Source

Result

Jean-Claude Bradley Open Melting Point Dataset

273 °C

Jean-Claude Bradley Open Melting Point Dataset

271 °C

Jean-Claude Bradley Open Melting Point Dataset

272 °C

PhysPropNCCT

271 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

195 °C

Not Available

Not Available

NICEATM

253 °C

Not Available

Available

TEST

241 °C

TEST Report

Not Available

OPERA

265 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

389 (4)

385

255 to 532

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

463 °C

Not Available

Not Available

NICEATM

307 °C

Not Available

Available

ACD/Labs

532 °C

Not Available

Not Available

OPERA

255 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

47.5 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

47.5 dyn/cm

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

7.41e-10 (4)

4.53e-11

1.55e-11 to 2.86e-09

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.55e-11 mmHg

Not Available

Available

ACD/Labs

2.20e-11 mmHg

Not Available

Not Available

TEST

2.86e-09 mmHg

TEST Report

Not Available

OPERA

6.87e-11 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

8.32 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.32

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

2.53e-10 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.53e-10 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.55 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.55

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

62.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

62.9 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

197 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

197 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

24.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

24.9 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

57.2 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

4.92e-12 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

4.50 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.91e-01 (1)

- - - -

days

Bioconcentration Factor

-

1.18 (3)

-

1.41

-

4.16e-02 to 2.11

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

57.2 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

57.2 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

4.92e-12 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.92e-12 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

4.50 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.50 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.91e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.91e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

1.18 (3)

1.41

4.16e-02 to 2.11

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

4.16e-02

Not Available

Available

TEST

1.41

TEST Report

Not Available

OPERA

2.11

OPERA Model Report

Available

Found 61 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Hydroflumethiazide
1,1-Dioxo-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1lambda6,2,4-benzothiadiazine-7-sulfonamide
2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3,4-dihydro-6-(trifluoromethyl)-, 1,1-dioxide
135-09-1 Active CAS-RN
4-27-00-08035 Beilstein Registry Number
2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3,4-dihydro-6-(trifluoromethyl)-, 1,1-dioxide
3,4-Dihydro-6-trifluoromethyl-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
3,4-Dihydro-6-trifluoromethyl-2H-1,2,4-benzothiazide-7-sulfonamide 1,1-dioxide
3,4-Dihydro-6-trifluoromethyl-7-sulfamoylbenzo-1,2,4-thiadiazine 1,1-dioxide
3,4-Dihydro-7-sulfamoyl-6-trifluoromethyl-2H-1,2,4-benzothiadiazine 1,1-dioxide
3,4-Dihydro-7-sulfamyl-6-trifluoromethyl-1,2,4-benzothiadiazine 1,1-dioxide
3,4-Dihydro-7-sulfamyl-6-trifluoromethyl-2H-1,2,4-benzothiadiazine 1,1-dioxide
6-Trifluoromethyl-3,4-dihydro-7-sulfamoyl-2H-1,2,4-benzothiadiazine 1,1-dioxide
6-Trifluoromethyl-7-sulfamyl-3,4-dihydro-1,2,4-benzothiadiazine-1,1-dioxide
7-Sulfamyl-6-trifluoromethyl-3,4-dihydro-1,2,4-benzothiadiazine 1,1-dioxide
BENZOTHIODIAZINE(2H-1,2,4)-7-SULFONAMIDE, 3,4-DIHYDRO-6-TRIFLUOROMETHYL)-1,1-DIOXIDE
Bristab
Bristurin
Di-Ademil
Dihydroflumethiazide
Diucardin
Diumide K
Diuredemina
Diurometon
Elodrine
Finuret
Flutizide
Glomerulin
Hidroalogen
Hidroflumetiazid
hidroflumetiazida
Hydrenox
Hydroflumethiazid
Leodrine
Metflorylthiazidine
Methforylthiazidine
NaClex
NSC 44627
Olmagran
Rodiuran
Saluron
Salutensin
Sisuril
Spandiuril
Trifluoromethylhydrothiazide
Vergonil
BRN 0342692
Di-adenil
3,4-Dihydro-6-(trifluoromethyl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
EINECS 205-173-8
Elodrin
Hydroflumethizide
Robezon
7-Sulfamyl-6-trifluoromethyl-3,4-dihydro-1,2,4-benzothiadiazine 1, 1-dioxide
Trifluoromethylhydrazide
Metforylthiadiazin
Metforylthiazidin
Rivosil
Hydroflumethiazidum
Idroflumetiazide
UNII-501CFL162R FDA Registry Number
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

2635th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

3.22e-07

2.00e-05

Ages 12-19

2.51e-07

1.81e-05

Ages 20-65

2.32e-07

1.65e-05

Ages 65+

2.21e-07

1.47e-05

BMI > 30

2.41e-07

1.32e-05

BMI < 30

2.22e-07

1.10e-05

Repro. Age Females

2.65e-07

2.11e-05

Females

2.25e-07

1.58e-05

Males

2.13e-07

1.23e-05

Total

2.54e-07

1.31e-05

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