Basic information
- CAS
21851-41-2- Standard SMILES
CCCCSCC(Cl)c1ccccc1- InChIKey
HQSLLSAIKQYICT-UHFFFAOYSA-N- Molecular formula
- C12H17ClS
- Average molar mass
- 228.78 g/mol
- Monoisotopic mass
- 228.0739494
Names & identifiers
- Preferred name
- Sulfide, butyl beta-chlorophenethyl
- IUPAC
- (2-butylsulfanyl-1-chloroethyl)benzene
- English name
- Butyl(β-chlorophenethyl) sulfide
- Molecular formula
- C12H17ClS
- Molecular weight
- 228.78138
Names & synonyms
Butyl beta-chlorophenethyl sulfideSulfide, butyl beta-chlorophenethyl21851-41-2BRN 23292424-06-00-03093 (Beilstein Handbook Reference)RefChem:382563[2-(butylsulfanyl)-1-chloroethyl]benzeneDTXSID10944461Butyl β-chlorophenethyl sulfideButyl(β-chlorophenethyl) sulfide
Database identifiers
- CAS
21851-41-2- PubChem CID
- 210883
- DTXSID
DTXSID10944461- Nikkaji
- J49.533F
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 132
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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