Basic information
- CAS
4332-51-8- Standard SMILES
ClCCSCc1ccccc1- InChIKey
UQSMMTFBNJUPGW-UHFFFAOYSA-N- Molecular formula
- C9H11ClS
- Average molar mass
- 186.7 g/mol
- Monoisotopic mass
- 186.0269992
Names & identifiers
- Preferred name
- Benzyl 2-chloroethyl sulfide
- IUPAC
- 2-chloroethylsulfanylmethylbenzene
- English name
- Benzyl 2-chloroethyl sulphide
- Molecular formula
- C9H11ClS
- Molecular weight
- 186.7
Names & synonyms
4332-51-8Benzyl 2-chloroethyl sulfide{[(2-chloroethyl)sulfanyl]methyl}benzene2-Chloroethyl benzyl sulfideBenzyl 2-chloroethyl sulphideSulfide, benzyl 2-chloroethyl2-Benzylthioethyl chloride2-chloroethylsulfanylmethylbenzenebenzyl(2-chloroethyl)sulfane(((2-Chloroethyl)thio)methyl)benzeneNE63ZPE4R7Benzyl .beta.-chloroethyl sulfide
Show more names
benzylthioethylchloride2-benzylthioethylchloride2-chloroethylbenzylsulfidebenzyl2-chloroethylsulfidesulfide,benzyl2-chloroethyl(2-chloroethyl)benzylsulfidebenzylbeta-chloroethylsulfide
NSC-11270([(2-Chloroethyl)sulfanyl]methyl)benzeneBenzene, (((2-chloroethyl)thio)methyl)-EINECS 224-371-5Benzene, [[(2-chloroethyl)thio]methyl]-Benzyl beta-chloroethyl sulfideCCRIS 3384alpha-(2-Chloroethylthio)toluene
Database identifiers
- CAS
4332-51-8- PubChem CID
- 78036
- DTXSID
DTXSID00195824- UNII
- NE63ZPE4R7
- EC Number
- 224-371-5
- Nikkaji
- J205.713A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 89.6
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 137 · 137-138°C 12mm
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 63 ZPE4R7 · NE63ZPE4R7
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- Toxicity
- 40 nmol/plate · mic-sat 40 nmol/plate BCPCA6 38,935,1989
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- mic-sat 40 nmol/plate BCPCA6 38,935,1989
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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