Basic information
- CAS
52174-02-4- Standard SMILES
CNC(=O)Oc1ccccc1SCC#N- InChIKey
NPIRJCCMANMYPD-UHFFFAOYSA-N- Molecular formula
- C10H10N2O2S
- Average molar mass
- 222.27 g/mol
- Monoisotopic mass
- 222.04629874
Names & identifiers
- Preferred name
- Acetonitrile, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)-
- IUPAC
- [2-(cyanomethylsulfanyl)phenyl] N-methylcarbamate
Names & synonyms
BRN 2277785ACETONITRILE, ((2-(((METHYLAMINO)CARBONYL)OXY)PHENYL)THIO)-52174-02-4((2-(((Methylamino)carbonyl)oxy)phenyl)thio)acetonitrileDTXSID70200196RefChem:316824DTXCID701226872-[(Cyanomethyl)sulfanyl]phenyl methylcarbamate
Database identifiers
- CAS
52174-02-4- PubChem CID
- 40267
- DTXSID
DTXSID70200196
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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