N-(Phenylcarbamoyl)-1H-pyrrole-2-carbothioamide
Basic information
- CAS
37488-46-3- Standard SMILES
O=C(NC(=S)c1ccc[nH]1)Nc1ccccc1- InChIKey
UTPKPOOMPDABPU-UHFFFAOYSA-N- Molecular formula
- C12H11N3OS
- Average molar mass
- 245.3 g/mol
- Monoisotopic mass
- 245.06228316
Names & identifiers
- Preferred name
- N-(Phenylcarbamoyl)-1H-pyrrole-2-carbothioamide
- IUPAC
- 1-phenyl-3-(1H-pyrrole-2-carbothioyl)urea
Names & synonyms
37488-46-3DTXSID70398002N-(phenylcarbamoyl)-1H-pyrrole-2-carbothioamideRefChem:362834DTXCID30348861NSC2273841-phenyl-3-(1H-pyrrole-2-carbothioyl)ureaNSC-227384N-phenylcarbamoylpyrrole-2-thiocarboxamide1H-Pyrrole-2-carbothioamide, N-[(phenylamino)carbonyl]-
Database identifiers
- CAS
37488-46-3- PubChem CID
- 3926385
- DTXSID
DTXSID70398002
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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