Butanenitrile, 3-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-
Basic information
- CAS
52174-05-7- Standard SMILES
CNC(=O)Oc1ccccc1SC(C)CC#N- InChIKey
ZNSBJLNCKAUMAU-UHFFFAOYSA-N- Molecular formula
- C12H14N2O2S
- Average molar mass
- 250.32 g/mol
- Monoisotopic mass
- 250.07759887
Names & identifiers
- Preferred name
- Butanenitrile, 3-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-
- IUPAC
- [2-(1-cyanopropan-2-ylsulfanyl)phenyl] N-methylcarbamate
Names & synonyms
BRN 22863933-((2-(((Methylamino)carbonyl)oxy)phenyl)thio)butanenitrile52174-05-7BUTANENITRILE, 3-((2-(((METHYLAMINO)CARBONYL)OXY)PHENYL)THIO)-RefChem:330628DTXSID809665342-[(1-Cyanopropan-2-yl)sulfanyl]phenyl hydrogen methylcarbonimidate
Database identifiers
- CAS
52174-05-7- PubChem CID
- 40268
- DTXSID
DTXSID80966534
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 300
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Compound notes
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