2-Pyridinecarbothioamide, N-(4-methylphenyl)-
Basic information
- CAS
21259-34-7- Standard SMILES
Cc1ccc(NC(=S)c2ccccn2)cc1- InChIKey
HWHBUFUUNCGXAY-UHFFFAOYSA-N- Molecular formula
- C13H12N2S
- Average molar mass
- 228.31 g/mol
- Monoisotopic mass
- 228.07211956
Names & identifiers
- Preferred name
- 2-Pyridinecarbothioamide, N-(4-methylphenyl)-
- IUPAC
- N-(4-methylphenyl)pyridine-2-carbothioamide
Names & synonyms
2-Pyridinecarbothioamide, N-(4-methylphenyl)-21259-34-7DTXSID30350626RefChem:266593DTXCID30301693N-(4-methylphenyl)pyridine-2-carbothioamideCBMicro_014118Oprea1_062366SMSF0004844AKOS024269453CB10929BIM-0014365.P001
Show more names
ST4023853SR-01000513298SR-01000513298-1
Database identifiers
- CAS
21259-34-7- PubChem CID
- 684387
- DTXSID
DTXSID30350626- Nikkaji
- J1.918.419F
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
- 234
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…