Basic information
- CAS
27888-12-6- Standard SMILES
COC(=O)CSC(=S)N(C)C- InChIKey
RZZBSEIJWZUGRG-UHFFFAOYSA-N- Molecular formula
- C6H11NO2S2
- Average molar mass
- 193.3 g/mol
- Monoisotopic mass
- 193.02312094
Names & identifiers
- Preferred name
- Methyl 2-(dimethylcarbamothioylsulfanyl)acetate
- IUPAC
- methyl 2-(dimethylcarbamothioylsulfanyl)acetate
Names & synonyms
27888-12-6methyl 2-(dimethylcarbamothioylsulfanyl)acetateNSC85735NCIOpen2_000978SCHEMBL23690527DTXSID70950568CCG-43275NSC-85735Methyl2-((dimethylcarbamothioyl)thio)acetateMethyl 2-((dimethylcarbamothioyl)thio)acetateMethyl [(dimethylcarbamothioyl)sulfanyl]acetateSR-01000633207-1
Database identifiers
- CAS
27888-12-6- PubChem CID
- 257584
- DTXSID
DTXSID70950568
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 159
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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