[(1-Isocyanatopropan-2-yl)sulfanyl]benzene
Basic information
- CAS
56177-19-6- Standard SMILES
CC(CN=C=O)Sc1ccccc1- InChIKey
HHBMNMWCWOHISR-UHFFFAOYSA-N- Molecular formula
- C10H11NOS
- Average molar mass
- 193.27 g/mol
- Monoisotopic mass
- 193.05613515
Names & identifiers
- Preferred name
- [(1-Isocyanatopropan-2-yl)sulfanyl]benzene
- IUPAC
- 1-isocyanatopropan-2-ylsulfanylbenzene
Names & synonyms
56177-19-6[(1-Isocyanatopropan-2-yl)sulfanyl]benzeneSCHEMBL11863582DTXSID60614763
Database identifiers
- CAS
56177-19-6- PubChem CID
- 21490440
- DTXSID
DTXSID60614763
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 183
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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