Basic information
- CAS
20821-67-4- Standard SMILES
CCOC(=O)CSC(=S)N(C)C- InChIKey
ATPHMKMRECAICC-UHFFFAOYSA-N- Molecular formula
- C7H13NO2S2
- Average molar mass
- 207.3 g/mol
- Monoisotopic mass
- 207.038771
Names & identifiers
- Preferred name
- Ethyl 2-((dimethylcarbamothioyl)thio)acetate
- IUPAC
- ethyl 2-(dimethylcarbamothioylsulfanyl)acetate
Names & synonyms
20821-67-4Ethyl 2-((dimethylcarbamothioyl)thio)acetateNSC85746NCIOpen2_005103DTXSID80943067NSC-85746AKOS001015516NCGC00342423-01Ethyl2-((dimethylcarbamothioyl)thio)acetateEthyl [(dimethylcarbamothioyl)sulfanyl]acetateAB01334187-02Z16041463
Database identifiers
- CAS
20821-67-4- PubChem CID
- 257593
- DTXSID
DTXSID80943067
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 171
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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