Basic information
- CAS
21128-90-5- Standard SMILES
CCCCS(=O)C(Cl)CCC- InChIKey
FHWJLZBLAFUSGT-UHFFFAOYSA-N- Molecular formula
- C8H17ClOS
- Average molar mass
- 196.74 g/mol
- Monoisotopic mass
- 196.068864
Names & identifiers
- Preferred name
- 1-Butylsulfinyl-1-chlorobutane
- IUPAC
- 1-butylsulfinyl-1-chlorobutane
Names & synonyms
21128-90-51-butylsulfinyl-1-chlorobutaneNSC170770DTXSID70305438NSC-1707701-(BUTANE-1-SULFINYL)-1-CHLOROBUTANE
Database identifiers
- CAS
21128-90-5- PubChem CID
- 298577
- DTXSID
DTXSID70305438
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 117
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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