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Basic information
- Standard SMILES
COCCC(C)N=C=S- InChIKey
PEXHEWZFDMNJDW-UHFFFAOYSA-N- Molecular formula
- C6H11NOS
- Average molar mass
- 145.23 g/mol
- Monoisotopic mass
- 145.05613515
Names & identifiers
- Preferred name
- 3-Isothiocyanato-1-methoxybutane
- IUPAC
- 3-isothiocyanato-1-methoxybutane
Names & synonyms
AKOS013930920
Database identifiers
- PubChem CID
- 64604875
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 53.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 110
Related reactions
1 records
Compound notes
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