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Hydrazinecarbodithioic acid, 1-methyl-, methyl ester
20184-94-5 | DTXSID80174016

Searched by CAS-RN: Found 1 result for '20184-94-5'.

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Intrinsic Properties

Molecular Formula: C3H8N2S2

Average Mass: 136.23 g/mol

Monoisotopic Mass: 136.012891 g/mol

Structural Identifiers

IUPAC Name: Methyl 1-methylhydrazine-1-carbodithioate

SMILES: CSC(=S)N(C)N

InChI String: InChI=1S/C3H8N2S2/c1-5(4)3(6)7-2/h4H2,1-2H3

InChIKey: QCEOBXKEQKMIAY-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/DTXSID80174016 (accessed June 21, 2018), Hydrazinecarbodithioic acid, 1-methyl-, methyl ester

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

-

5.42e-01 (5)

-

5.16e-01

-

-0.400 to 1.30

-

Water Solubility

-

1.59e-01 (4)

-

8.28e-02

-

6.82e-02 to 4.04e-01

mol/L

Density

-

1.07 (1)

- - - -

g/cm^3

Flash Point

-

74.7 (2)

-

74.7

-

70.7 to 78.7

°C

Melting Point

-

76.0 (4)

-

72.3

-

37.3 to 122

°C

Boiling Point

-

223 (4)

-

221

-

207 to 244

°C

Vapor Pressure

-

9.96e-02 (3)

-

4.77e-02

-

1.40e-02 to 2.37e-01

mmHg

LogKoa: Octanol-Air

-

4.74 (1)

- - - - -

Henry's Law

-

3.72e-09 (1)

- - - -

atm-m3/mole

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

5.42e-01 (5)

5.16e-01

-0.400 to 1.30

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-0.400

Not Available

Not Available

NICEATM

1.30

Not Available

Available

ACD/Labs Consensus

5.16e-01

Not Available

Not Available

ACD/Labs

3.54e-01

Not Available

Not Available

OPERA

9.36e-01

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

1.59e-01 (4)

8.28e-02

6.82e-02 to 4.04e-01

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

6.82e-02 mol/L

Not Available

Not Available

NICEATM

7.89e-02 mol/L

Not Available

Available

OPERA

4.04e-01 mol/L

OPERA Model Report

Available

TEST

8.67e-02 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.07 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

1.07 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

74.7 (2)

74.7

70.7 to 78.7

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

78.7 °C

Not Available

Not Available

TEST

70.7 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

76.0 (4)

72.3

37.3 to 122

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

37.3 °C

Not Available

Not Available

NICEATM

74.6 °C

Not Available

Available

OPERA

122 °C

OPERA Model Report

Available

TEST

70.0 °C

TEST Report

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

223 (4)

221

207 to 244

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

223 °C

Not Available

Not Available

NICEATM

244 °C

Not Available

Available

ACD/Labs

207 °C

Not Available

Not Available

OPERA

219 °C

OPERA Model Report

Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

9.96e-02 (3)

4.77e-02

1.40e-02 to 2.37e-01

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

4.77e-02 mmHg

Not Available

Available

ACD/Labs

2.37e-01 mmHg

Not Available

Not Available

OPERA

1.40e-02 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

4.74 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.74

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

3.72e-09 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.72e-09 atm-m3/mole

OPERA Model Report

Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

54.9 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

5.75e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

4.59 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.90e-01 (1)

- - - -

days

Bioconcentration Factor

-

52.5 (2)

-

52.5

-

2.28 to 103

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

54.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

54.9 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

5.75e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.75e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

4.59 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.59 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.90e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.90e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

52.5 (2)

52.5

2.28 to 103

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

103

Not Available

Available

OPERA

2.28

OPERA Model Report

Available

Found 3 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Hydrazinecarbodithioic acid, 1-methyl-, methyl ester
Methyl 1-methylhydrazine-1-carbodithioate
20184-94-5 Active CAS-RN
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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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