4,5-Dihydro-1-methyl-2-(methylthio)-N-phenyl-1H-pyrrole-3-carbothioamide
Basic information
- CAS
85936-55-6- Standard SMILES
CSC1=C(C(=S)Nc2ccccc2)CCN1C- InChIKey
PYDYUJQMHLXGBA-UHFFFAOYSA-N- Molecular formula
- C13H16N2S2
- Average molar mass
- 264.4 g/mol
- Monoisotopic mass
- 264.07549087
Names & identifiers
- Preferred name
- 4,5-Dihydro-1-methyl-2-(methylthio)-N-phenyl-1H-pyrrole-3-carbothioamide
- IUPAC
- 1-methyl-5-methylsulfanyl-N-phenyl-2,3-dihydropyrrole-4-carbothioamide
Names & synonyms
DTXSID7011494344,5-Dihydro-1-methyl-2-(methylthio)-N-phenyl-1H-pyrrole-3-carbothioamide85936-55-61-Methyl-2-(methylsulfanyl)-N-phenyl-4,5-dihydro-1H-pyrrole-3-carbothioamide
Database identifiers
- CAS
85936-55-6- PubChem CID
- 12840674
- DTXSID
DTXSID701149434
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 319
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Compound notes
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