N-(2-methylphenyl)pyridine-2-carbothioamide
Basic information
- CAS
21259-33-6- Standard SMILES
Cc1ccccc1NC(=S)c1ccccn1- InChIKey
WSUCMIQPNCUDRN-UHFFFAOYSA-N- Molecular formula
- C13H12N2S
- Average molar mass
- 228.31 g/mol
- Monoisotopic mass
- 228.07211956
Names & identifiers
- Preferred name
- N-(2-methylphenyl)pyridine-2-carbothioamide
- IUPAC
- N-(2-methylphenyl)pyridine-2-carbothioamide
Names & synonyms
N-(2-methylphenyl)pyridine-2-carbothioamide21259-33-6N-(2-methylphenyl)-2-pyridinecarbothioamideN-o-tolyl-thiopicolin-amid2-Pyridinecarbothioamide, N-(2-methylphenyl)-Oprea1_630135DTXSID20355266AKOS000361131AG-690/32523020SR-01000204876SR-01000204876-1
Database identifiers
- CAS
21259-33-6- PubChem CID
- 795251
- DTXSID
DTXSID20355266- Nikkaji
- J2.798.244A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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