Basic information
- CAS
69943-68-6- Standard SMILES
CSC(=S)OCC(C)C- InChIKey
HAWQDXROBHHWFI-UHFFFAOYSA-N- Molecular formula
- C6H12OS2
- Average molar mass
- 164.3 g/mol
- Monoisotopic mass
- 164.03295735
Names & identifiers
- Preferred name
- Carbonodithioic acid, S-methyl O-(2-methylpropyl) ester
- IUPAC
- O-(2-methylpropyl) methylsulfanylmethanethioate
- English name
- S-methyl O-(2-methylpropyl) dithiocarbonate
- Molecular formula
- C6H12OS2
- Molecular weight
- 164.29
Names & synonyms
Carbonodithioic acid, S-methyl O-(2-methylpropyl) esterDTXSID4072023RefChem:574564DTXCID904660969943-68-6o-isobutyl s-methyl carbonodithioateMethyl O-isobutylxanthateEINECS 274-232-8S-Methyl O-(2-methylpropyl) dithiocarbonateSCHEMBL28638770HAWQDXROBHHWFI-UHFFFAOYSA-NNS00062118
Show more names
Dithiocarbonic acid S-methyl O-(2-methylpropyl) ester
S-methyl O-(2-methylpropyl) carbonodithioate
Database identifiers
- CAS
69943-68-6- PubChem CID
- 112352
- DTXSID
DTXSID4072023- EC Number
- 274-232-8
- Nikkaji
- J318.097B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 91.1
Physicochemical properties
- EPA Substance Registry System
- Carbonodithioic acid, S-methyl O-(2-methylpropyl) ester (69943-68-6)
- 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 InformationCarbonodithioic acid, S-methyl O-(2-methylpropyl) ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…