Basic information
- Standard SMILES
CC(=O)C(CCCl)SC#N- InChIKey
MUNVMJWLFQIMTQ-UHFFFAOYSA-N- Molecular formula
- C6H8ClNOS
- Average molar mass
- 177.65 g/mol
- Monoisotopic mass
- 177.0015127
Names & identifiers
- Preferred name
- 3-Thiocyanato-5-chloro-2-pentanone
- IUPAC
- (1-chloro-4-oxopentan-3-yl) thiocyanate
Names & synonyms
SCHEMBL8931363MUNVMJWLFQIMTQ-UHFFFAOYSA-N3-thiocyanato-5-chloro-2-pentanone
Database identifiers
- PubChem CID
- 10877693
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 162
Related reactions
10 records
Compound notes
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