Acetic acid, 2,2-bis[[(dimethylamino)thioxomethyl]thio]-, methyl ester
Basic information
- CAS
13393-56-1- Standard SMILES
COC(=O)C(SC(=S)N(C)C)SC(=S)N(C)C- InChIKey
JBYHBIUXSCRTHZ-UHFFFAOYSA-N- Molecular formula
- C9H16N2O2S4
- Average molar mass
- 312.5 g/mol
- Monoisotopic mass
- 312.00946245
Names & identifiers
- Preferred name
- Acetic acid, 2,2-bis[[(dimethylamino)thioxomethyl]thio]-, methyl ester
- IUPAC
- methyl 2,2-bis(dimethylcarbamothioylsulfanyl)acetate
- English name
- methyl bis[[(dimethylamino)thioxomethyl]thio]acetate
- Molecular formula
- C9H16N2O2S4
- Molecular weight
- 312.5
Names & synonyms
13393-56-1Acetic acid, bis[[(dimethylamino)thioxomethyl]thio]-, methyl esterEINECS 236-472-1Methoxycarbonylmethylene bis(N,N-dimethyldithiocarbamate)DTXSID0065432Acetic acid, bis(((dimethylamino)thioxomethyl)thio)-, methyl esterAcetic acid, 2,2-bis(((dimethylamino)thioxomethyl)thio)-, methyl esterAcetic acid, 2,2-bis[[(dimethylamino)thioxomethyl]thio]-, methyl esterRefChem:108900DTXCID7034173METHYL BIS[[(DIMETHYLAMINO)THIOXOMETHYL]THIO]ACETATEMethyl bis(((dimethylamino)thioxomethyl)thio)acetate
Show more names
Bis[[(dimethylamino)thioxomethyl]thio]acetic acid methyl ester
methyl bis[(dimethylcarbamothioyl)sulfanyl]acetatemethyl 2,2-bis(dimethylcarbamothioylsulfanyl)acetateSCHEMBL20303396JBYHBIUXSCRTHZ-UHFFFAOYSA-NNS00024315
Database identifiers
- CAS
13393-56-1- PubChem CID
- 83401
- DTXSID
DTXSID0065432- EC Number
- 236-472-1
- Nikkaji
- J213.896D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 285
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 367.6 · 367.6±52.0 °C(Predicted)
- Density
- 1.339 · 1.339±0.06 g/cm3(Predicted)
- pka
- 1 · 1.00±0.50(Predicted)
- EPA Substance Registry System
- Acetic acid, bis[[(dimethylamino)thioxomethyl]thio]-, methyl ester (13393-56-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetic acid, 2,2-bis[[(dimethylamino)thioxomethyl]thio]-, methyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…