Basic information
- CAS
90160-68-2- Standard SMILES
CSc1ccccc1C#CC(O)(CCl)CCl- InChIKey
WZPYASJYRCLSED-UHFFFAOYSA-N- Molecular formula
- C12H12Cl2OS
- Average molar mass
- 275.2 g/mol
- Monoisotopic mass
- 273.9985916
Names & identifiers
- Preferred name
- 1-Chloro-2-(chloromethyl)-4-[2-(methylsulfanyl)phenyl]but-3-yn-2-ol
- IUPAC
- 1-chloro-2-(chloromethyl)-4-(2-methylsulfanylphenyl)but-3-yn-2-ol
Names & synonyms
90160-68-2DTXSID105350901-Chloro-2-(chloromethyl)-4-[2-(methylsulfanyl)phenyl]but-3-yn-2-ol
Database identifiers
- CAS
90160-68-2- PubChem CID
- 13292011
- DTXSID
DTXSID10535090
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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