1-Isocyanato-3-(methylsulfanyl)butane
Basic information
- CAS
827024-56-6- Standard SMILES
CSC(C)CCN=C=O- InChIKey
VNODLUGVJZHSSG-UHFFFAOYSA-N- Molecular formula
- C6H11NOS
- Average molar mass
- 145.23 g/mol
- Monoisotopic mass
- 145.05613515
Names & identifiers
- Preferred name
- 1-Isocyanato-3-(methylsulfanyl)butane
- IUPAC
- 1-isocyanato-3-methylsulfanylbutane
Names & synonyms
1-Isocyanato-3-(methylsulfanyl)butane827024-56-6DTXSID00837156
Database identifiers
- CAS
827024-56-6- PubChem CID
- 71417826
- DTXSID
DTXSID00837156
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 110
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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