Propanenitrile, 3-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-
Basic information
- CAS
36124-57-9- Standard SMILES
CNC(=O)Oc1ccccc1SCCC#N- InChIKey
RHYODJITMFLCLB-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2S
- Average molar mass
- 236.29 g/mol
- Monoisotopic mass
- 236.0619488
Names & identifiers
- Preferred name
- Propanenitrile, 3-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-
- IUPAC
- [2-(2-cyanoethylsulfanyl)phenyl] N-methylcarbamate
Names & synonyms
BRN 227805836124-57-9Propanenitrile, 3-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-3-((2-(((Methylamino)carbonyl)oxy)phenyl)thio)propanenitrileDTXSID20189700RefChem:374528DTXCID401121912-[(2-cyanoethyl)sulfanyl]phenyl methylcarbamate
Database identifiers
- CAS
36124-57-9- PubChem CID
- 215723
- DTXSID
DTXSID20189700
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 274
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Compound notes
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