3-Chloropropyl phenyl sulfide

HCID 269606

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Basic information

CAS: 4911-65-3
Standard SMILES: ClCCCSc1ccccc1
InChIKey: SBRLITLVSMPPFI-UHFFFAOYSA-N
Molecular formula: C9H11ClS
Average molar mass: 186.7 g/mol
Monoisotopic mass: 186.0269992

Names & identifiers

Preferred name: 3-Chloropropyl phenyl sulfide
IUPAC: 3-chloropropylsulfanylbenzene
English name: 3-Chloropropyl phenyl sulfide
Molecular formula: C9H11ClS
Molecular weight: 186.7

Names & synonyms

3-Chloropropyl phenyl sulfide4911-65-33-chloropropylsulfanylbenzene[(3-Chloropropyl)sulfanyl]benzene(3-Chloropropyl)(phenyl)sulfaneMFCD00040122(3-chloro-propylsulfanyl)-benzeneNSC1108163-phenylthiopropylchloride3-phenylthiopropyl chloride1-Chloro-3-phenylthiopropane3-chloro-1-phenylthiopropane

Show more names

3-(PHENYLTHIO)PROPYL CHLORIDEBenzene, [(3-chloropropyl)thio]-

3-phenylthio-1-chloropropaneSCHEMBL9559771-chloro-3-phenylthio propane[(3-Chloropropyl)thio]benzene3-Phenylthio-1-chloro-propane1-chloro-3-(phenylthio)propane1-chloro-3-(phenylthio) propaneDTXSID40296687

Database identifiers

CAS: 4911-65-3
PubChem CID: 269606
DTXSID: DTXSID40296687
EC Number: 678-883-2
Nikkaji: J586.515H

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 25.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 11
Formal charge: 0
Complexity: 89

Physicochemical properties

Boiling point: 115 · 115-119°C 3mm
Density: 1.1536 · 1.1536
refractive index: 1.5752 · 1.5752
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H315-H319-H335
Precautionary statements: 261 · P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
Risk Statements: 23 · 23/24/25-36/37/38
Safety Statements: 26 · 26-36/37/39
RIDADR: 2810 · 2810