Basic information
- CAS
19155-35-2- Standard SMILES
C=CCSCCCl- InChIKey
OLEMZWBORONVDW-UHFFFAOYSA-N- Molecular formula
- C5H9ClS
- Average molar mass
- 136.64 g/mol
- Monoisotopic mass
- 136.0113492
Names & identifiers
- Preferred name
- Sulfide, allyl 2-chloroethyl
- IUPAC
- 3-(2-chloroethylsulfanyl)prop-1-ene
- English name
- Allyl 2-chloroethyl sulfide
- Molecular formula
- C5H9ClS
- Molecular weight
- 136.64
Names & synonyms
Sulfide, allyl 2-chloroethyl19155-35-2DTXSID30172683RefChem:1099182DTXCID0095174Allyl 2-chloroethylsulfideAllyl 2-chloroethyl sulfide3-(2-chloroethylsulfanyl)prop-1-eneTL 1164BRN 17422593-[(2-chloroethyl)sulfanyl]prop-1-ene3-01-00-01889 (Beilstein Handbook Reference)
Show more names
TL-11642-Chloroethyl(allyl) sulfide1-Propene, 3-[(2-chloroethyl)thio]-
SCHEMBL676012(2-chloroethyl) allyl sulfideAKOS006387347
Database identifiers
- CAS
19155-35-2- PubChem CID
- 87944
- DTXSID
DTXSID30172683- Nikkaji
- J49.525E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 45.3
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Density25 @25 °C
Boiling Point176 °C @760 [mm Hg]
Physicochemical properties
- Boiling point
- 163.31 °C · 163.31°C (estimate)
- Density
- 1.0783 · 1.0783 (estimate)
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 & protection
Protective Action Criteria (PAC)
0.034 [mg/m3]
0.38 [mg/m3]
2.3 [mg/m3]
Chemistry & industry
Suppliers1 total
Portail Substances Chimiques[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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