Basic information
- CAS
118708-32-0- Standard SMILES
O=C(NC(=S)NCCc1ccncc1)c1ccccc1- InChIKey
DGKTUOQAEJNUAB-UHFFFAOYSA-N- Molecular formula
- C15H15N3OS
- Average molar mass
- 285.4 g/mol
- Monoisotopic mass
- 285.09358328
Names & identifiers
- Preferred name
- N-{[2-(Pyridin-4-yl)ethyl]carbamothioyl}benzamide
- IUPAC
- N-(2-pyridin-4-ylethylcarbamothioyl)benzamide
Names & synonyms
DTXSID501208454118708-32-0N-{[2-(Pyridin-4-yl)ethyl]carbamothioyl}benzamideN-[[[2-(4-Pyridinyl)ethyl]amino]thioxomethyl]benzamide
Database identifiers
- CAS
118708-32-0- PubChem CID
- 85579255
- DTXSID
DTXSID501208454
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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