Basic information
- CAS
3013-02-3- Standard SMILES
CSC(=O)N(C)C- InChIKey
GCOMUEMCOXVZNI-UHFFFAOYSA-N- Molecular formula
- C4H9NOS
- Average molar mass
- 119.19 g/mol
- Monoisotopic mass
- 119.04048508
Names & identifiers
- Preferred name
- Carbamothioic acid, dimethyl-, S-methyl ester
- IUPAC
- S-methyl N,N-dimethylcarbamothioate
Names & synonyms
3013-02-3Carbamothioic acid, dimethyl-, S-methyl esterS-Methyl dimethylcarbamothioateDTXSID60184219RefChem:332893DTXCID20106710SCHEMBL9420102S-Methyl dimethylthiocarbamate #SCHEMBL11402846GCOMUEMCOXVZNI-UHFFFAOYSA-NAKOS006274168
Database identifiers
- CAS
3013-02-3- PubChem CID
- 76385
- DTXSID
DTXSID60184219- Nikkaji
- J1.003.667D
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 72.1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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