Methyl 2-oxopropyl (4-methylbenzene-1-sulfonyl)carbonodithioimidate
Basic information
- CAS
490023-41-1- Standard SMILES
CSC(=NS(=O)(=O)c1ccc(C)cc1)SCC(C)=O- InChIKey
SOLSRHFREFFWJU-UHFFFAOYSA-N- Molecular formula
- C12H15NO3S3
- Average molar mass
- 317.5 g/mol
- Monoisotopic mass
- 317.02140686
Names & identifiers
- Preferred name
- Methyl 2-oxopropyl (4-methylbenzene-1-sulfonyl)carbonodithioimidate
- IUPAC
- 4-methyl-N-[methylsulfanyl(2-oxopropylsulfanyl)methylidene]benzenesulfonamide
Names & synonyms
DTXSID001151709Methyl 2-oxopropyl (4-methylbenzene-1-sulfonyl)carbonodithioimidate4-Methyl-N-[(methylthio)[(2-oxopropyl)thio]methylene]benzenesulfonamide490023-41-1
Database identifiers
- CAS
490023-41-1- PubChem CID
- 165344331
- DTXSID
DTXSID001151709
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 432
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Compound notes
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