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ETEM
33813-20-6 | DTXSID70187473

Searched by Approved Name: Found 1 result for 'ETEM [BSI]'.

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Intrinsic Properties

Molecular Formula: C4H4N2S3

Average Mass: 176.27 g/mol

Monoisotopic Mass: 175.953662 g/mol

Structural Identifiers

IUPAC Name: 5,6-Dihydro-3H-imidazo[2,1-c][1,2,4]dithiazole-3-thione

SMILES: S=C1SSC2=NCCN12

InChI String: InChI=1S/C4H4N2S3/c7-4-6-2-1-5-3(6)8-9-4/h1-2H2

InChIKey: BFTGQIQVUVTBJU-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/DTXSID70187473 (accessed May 25, 2018), ETEM

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

Loaded based on no conflicts with this data in chemid and pubchem

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

-

1.05 (5)

-

1.42

-

-0.246 to 1.80

-

Water Solubility

-

8.25e-03 (4)

-

7.07e-03

-

4.83e-03 to 1.40e-02

mol/L

Density

-

1.55 (1)

- - - -

g/cm^3

Flash Point

-

120 (2)

-

120

-

120 to 121

°C

Melting Point

121 (1)

132 (4)

-

125

121

108 to 172

°C

Boiling Point

-

295 (4)

-

287

-

274 to 331

°C

Vapor Pressure

-

4.76e-03 (3)

-

5.46e-03

-

3.53e-05 to 8.80e-03

mmHg

LogKoa: Octanol-Air

-

5.66 (1)

- - - - -

Henry's Law

-

2.79e-08 (1)

- - - -

atm-m3/mole

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

1.05 (5)

1.42

-0.246 to 1.80

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.60

Not Available

Not Available

NICEATM

1.80

Not Available

Available

ACD/Labs Consensus

0.7

Not Available

Not Available

ACD/Labs

-0.246

Not Available

Not Available

OPERA

1.42

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

8.25e-03 (4)

7.07e-03

4.83e-03 to 1.40e-02

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.40e-02 mol/L

Not Available

Not Available

NICEATM

8.40e-03 mol/L

Not Available

Available

OPERA

4.83e-03 mol/L

OPERA Model Report

Available

TEST

5.74e-03 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.55 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

1.55 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

120 (2)

120

120 to 121

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

120 °C

Not Available

Not Available

TEST

121 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

121 (1)

-

121

Predicted

132 (4)

125

108 to 172

Experimental

Source

Result

Key Organics

121 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

122 °C

Not Available

Not Available

NICEATM

172 °C

Not Available

Available

OPERA

127 °C

OPERA Model Report

Available

TEST

108 °C

TEST Report

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

295 (4)

287

274 to 331

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

331 °C

Not Available

Not Available

NICEATM

294 °C

Not Available

Available

ACD/Labs

274 °C

Not Available

Not Available

OPERA

279 °C

OPERA Model Report

Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

4.76e-03 (3)

5.46e-03

3.53e-05 to 8.80e-03

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

8.80e-03 mmHg

Not Available

Available

ACD/Labs

5.46e-03 mmHg

Not Available

Not Available

OPERA

3.53e-05 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

5.66 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.66

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

2.79e-08 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.79e-08 atm-m3/mole

OPERA Model Report

Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

56.8 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

2.39e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

45.4 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

2.92e-01 (1)

- - - -

days

Bioconcentration Factor

-

24.1 (3)

-

18.5

-

6.14 to 47.8

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

56.8 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

56.8 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

2.39e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.39e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

45.4 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

45.4 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

2.92e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.92e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

24.1 (3)

18.5

6.14 to 47.8

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

47.8

Not Available

Available

OPERA

6.14

OPERA Model Report

Available

TEST

18.5

TEST Report

Not Available

Found 23 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
ETEM
5,6-Dihydro-3H-imidazo[2,1-c][1,2,4]dithiazole-3-thione
3H-Imidazo[2,1-c]-1,2,4-dithiazole-3-thione, 5,6-dihydro-
33813-20-6 Active CAS-RN
4-27-00-08745 Beilstein Registry Number
BRN 0006205
Caswell No. 481A
EINECS 251-684-4
Endodan 50 WP
EPA Pesticide Chemical Code 481200
Ethylene bisthiuram monosulfide
Ethylene thiuram monosulphide
N,N'-Ethylenebis(thiocarbamoyl)sulfide
Ethylenebis(thiocarbamyl) sulfide
Ethylenethiocarbamyl sulfide
Ethylenethiuram monosulfide
Ethylenethiuram sulfide
Hexahydro-2,7-dithio-1,3,6-thiadiazepine
Hortocritt
Ethylenebisdiisothiocyanato sulfide
N,N'-Dimethylene-5-imino-1,2-dithio-4-azolidine-3-thione
Thiuram monosulfide, 1,2-ethanediyl-
UNII-NG03351C2T FDA Registry Number
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Exposure Predictions

There is no exposure data available.

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Executive Summary

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