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Amithiozone
104-06-3 | DTXSID2022593

Searched by Approved Name: Found 1 result for 'Amithiozone'.

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Intrinsic Properties

Molecular Formula: C10H12N4OS

Average Mass: 236.29 g/mol

Monoisotopic Mass: 236.073182 g/mol

Structural Identifiers

IUPAC Name: N-{4-[(E)-(2-Carbamothioylhydrazinylidene)methyl]phenyl}acetamide

SMILES: CC(=O)NC1=CC=C(\C=N\NC(N)=S)C=C1

InChI String: InChI=1S/C10H12N4OS/c1-7(15)13-9-4-2-8(3-5-9)6-12-14-10(11)16/h2-6H,1H3,(H,13,15)(H3,11,14,16)/b12-6+

InChIKey: SRVJKTDHMYAMHA-WUXMJOGZSA-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/DTXSID2022593 (accessed April 22, 2018), Amithiozone

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

-

1.14 (5)

-

1.22

-

5.52e-01 to 1.44

-

Water Solubility

3.72e-04 (1)

4.16e-02 (4)

-

7.18e-03

3.72e-04

3.63e-04 to 1.52e-01

mol/L

Density

-

1.40 (2)

-

1.40

-

1.31 to 1.49

g/cm^3

Flash Point

-

222 (1)

- - - -

°C

Melting Point

-

208 (4)

-

207

-

179 to 238

°C

Boiling Point

-

376 (4)

-

377

-

306 to 443

°C

Surface Tension

-

48.9 (1)

- - - -

dyn/cm

Vapor Pressure

-

5.17e-09 (2)

-

5.17e-09

-

1.42e-10 to 1.02e-08

mmHg

LogKoa: Octanol-Air

-

8.53 (1)

- - - - -

Henry's Law

-

2.00e-10 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.64 (1)

- - - - -

Molar Refractivity

-

65.2 (1)

- - - -

cm^3

Molar Volume

-

181 (1)

- - - -

cm^3

Polarizability

-

25.8 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

1.14 (5)

1.22

5.52e-01 to 1.44

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.09

Not Available

Not Available

NICEATM

1.41

Not Available

Available

ACD/Labs Consensus

1.44

Not Available

Not Available

ACD/Labs

1.22

Not Available

Not Available

OPERA

5.52e-01

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental

3.72e-04 (1)

-

3.72e-04

Predicted

4.16e-02 (4)

7.18e-03

3.63e-04 to 1.52e-01

Experimental

Source

Result

PhysPropNCCT

3.72e-04 mol/L

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.40e-02 mol/L

Not Available

Not Available

NICEATM

1.52e-01 mol/L

Not Available

Available

OPERA

3.63e-04 mol/L

OPERA Model Report

Available

TEST

3.77e-04 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.40 (2)

1.40

1.31 to 1.49

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.31 g/cm^3

Not Available

Not Available

TEST

1.49 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

222 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

222 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

208 (4)

207

179 to 238

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

183 °C

Not Available

Not Available

NICEATM

231 °C

Not Available

Available

TEST

238 °C

TEST Report

Not Available

OPERA

179 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

376 (4)

377

306 to 443

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

438 °C

Not Available

Not Available

NICEATM

316 °C

Not Available

Available

TEST

443 °C

TEST Report

Not Available

OPERA

306 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

48.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

48.9 dyn/cm

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

5.17e-09 (2)

5.17e-09

1.42e-10 to 1.02e-08

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.02e-08 mmHg

Not Available

Available

OPERA

1.42e-10 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

8.53 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.53

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

2.00e-10 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.00e-10 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.64 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.64

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

65.2 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

65.2 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

181 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

181 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

25.8 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

25.8 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

231 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

2.73e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

3.54 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

3.99e-01 (1)

- - - -

days

Bioconcentration Factor

-

1.81 (2)

-

1.81

-

2.48e-01 to 3.36

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

231 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

231 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

2.73e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.73e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

3.54 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.54 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

3.99e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.99e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

1.81 (2)

1.81

2.48e-01 to 3.36

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

2.48e-01

Not Available

Available

OPERA

3.36

OPERA Model Report

Available

Found 73 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Amithiozone
N-{4-[(E)-(2-Carbamothioylhydrazinylidene)methyl]phenyl}acetamide
Acetamide, N-[4-[(E)-[2-(aminothioxomethyl)hydrazinylidene]methyl]phenyl]-
104-06-3 Active CAS-RN
4-14-00-00075 Beilstein Registry Number
p-Acetamidobenzaldehyde thiosemicarbazone
p-Acetaminobenzylidenethiosemicarbazone
p-Acetoaminobenzaldehyde thiosemicarbazone
p-Acetylaminobenzadehyde thiosemicarbazone
4-Acetylaminobenzaldehyde thiosemicarbazone
Aktivan
Ambathizon
Amitiozon
Benthiozone
Benzothiozane
Benzothiozon
Berculon A
Berkazon
BRN 2810335
Conteben
Domagk's T.B.1 conteben
Domakol
EINECS 203-170-6
p-Formylacetanilide-3-thiosemicarbazone
Livazone
Magk's T.B.1 conteben
Mivizon
Myvizone
Neotibil
Neustab
Novakol
NSC 3550
Nuclon argentinian
Panrone
Seroden
Siocarbazone
TB I
Tebalon
Tebecure
Tebemar
Tebesone I
Tebethion
Tebethione
Tebezon
Thiacetone
Thiacetozone
Thibone
Thioacetazon
Thioazetazone
Thiocarbazil
Thiomicid
Thionicid
Thioparamizon
Thioparamizone
Thiosemicarbarzone
Thiosemicarbazone
Thiotebesin
Thiotebezin
Thiotebicina
Thizone
Tiacetazon
Tibicur
Tibizan
Tioacetazon
Tioatsetazon
Tiobicina
Tiocarone
Tiosecolo
Tubercazon
Tubigal
Thioacetazonum
Tioacetazona
UNII-MMG78X7SSR FDA Registry Number
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

4316th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

2.88e-07

1.44e-05

Ages 12-19

1.84e-07

1.26e-05

Ages 20-65

1.47e-07

1.03e-05

Ages 65+

1.80e-07

1.36e-05

BMI > 30

1.55e-07

8.76e-06

BMI < 30

1.64e-07

1.47e-05

Repro. Age Females

1.85e-07

1.56e-05

Females

1.44e-07

1.96e-05

Males

1.52e-07

9.72e-06

Total

1.59e-07

1.10e-05

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Executive Summary

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