Benzamide, N-(cyano(methylthio)methyl)-p-methoxy-
Basic information
- CAS
31666-18-9- Standard SMILES
COc1ccc(C(=O)NC(C#N)SC)cc1- InChIKey
ILYIOFPQHLMOBX-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2S
- Average molar mass
- 236.29 g/mol
- Monoisotopic mass
- 236.0619488
Names & identifiers
- Preferred name
- Benzamide, N-(cyano(methylthio)methyl)-p-methoxy-
- IUPAC
- N-[cyano(methylsulfanyl)methyl]-4-methoxybenzamide
Names & synonyms
BRN 2979094N-(Cyano(methylthio)methyl)-p-methoxybenzamide31666-18-9BENZAMIDE, N-(CYANO(METHYLTHIO)METHYL)-p-METHOXY-RefChem:322439N-[cyano(methylsulfanyl)methyl]-4-methoxybenzamideDTXSID00953628
Database identifiers
- CAS
31666-18-9- PubChem CID
- 35863
- DTXSID
DTXSID00953628- Nikkaji
- J149.080J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 279
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…