Basic information
- CAS
14366-66-6- Standard SMILES
ClCCCSc1ccc(Cl)cc1- InChIKey
HADOQWNCMSIIMK-UHFFFAOYSA-N- Molecular formula
- C9H10Cl2S
- Average molar mass
- 221.15 g/mol
- Monoisotopic mass
- 219.98802668
Overview
See also: 4-Chlorophenyl 3-chloropropyl sulfide (annotation moved to).
Names & identifiers
- Preferred name
- 1-Chloro-4-[(3-chloropropyl)sulfanyl]benzene
- IUPAC
- 1-chloro-4-(3-chloropropylsulfanyl)benzene
- English name
- Benzene,1-chloro-4-[(3-chloropropyl)thio]-
- Molecular formula
- C9H10Cl2S
- Molecular weight
- 221.1467
Names & synonyms
1-chloro-4-[(3-chloropropyl)sulfanyl]benzene14366-66-61-chloro-4-[(3-chloropropyl)thio]benzeneNSC11268Benzene,1-chloro-4-[(3-chloropropyl)thio]-SCHEMBL7414719DTXSID40279096HADOQWNCMSIIMK-UHFFFAOYSA-NNSC-11268AKOS000200704DS-0067584-CHLOROPHENYL 3-CHLOROPROPYL SULFIDE
Database identifiers
- CAS
14366-66-6- PubChem CID
- 223537
- DTXSID
DTXSID40279096- Nikkaji
- J2.732.867I
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H413
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
Safety & regulation
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H413
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
7 records
Compound notes
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