Benzamide, N-((benzylthio)cyanomethyl)-
Completing data — refresh the page later to see the latest
Basic information
- CAS
31657-19-9- Standard SMILES
N#CC(NC(=O)c1ccccc1)SCc1ccccc1- InChIKey
KEOJVGCGKRBADL-UHFFFAOYSA-N- Molecular formula
- C16H14N2OS
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.08268425
Names & identifiers
- Preferred name
- Benzamide, N-((benzylthio)cyanomethyl)-
- IUPAC
- N-[benzylsulfanyl(cyano)methyl]benzamide
- English name
- N-[(Benzylthio)cyanomethyl]benzamide
- Molecular formula
- C16H14N2OS
- Molecular weight
- 282.36
Names & synonyms
31657-19-9Benzamide, N-((benzylthio)cyanomethyl)-RefChem:1078022N-((Benzylthio)cyanomethyl)benzamideN-[(Benzylthio)cyanomethyl]benzamideNSC 177924BRN 2470751alpha-Benzoyl-amino-alpha-benzylmercaptoacetonitrileNSC177924SCHEMBL18409626DTXSID201385015NSC-177924
Show more names
Benzamide, N-[cyano[(phenylmethyl)thio]methyl]-
DS-006562Benzamide,n-[cyano[(phenylmethyl)thio]methyl]-
Database identifiers
- CAS
31657-19-9- PubChem CID
- 99110
- DTXSID
DTXSID201385015- Nikkaji
- J54.751D
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Boiling point
- 495.8 · 495.8±45.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 10.95 · 10.95±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…