Propyl propenyl sulfide

HCID 554181

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Basic information

CAS: 33922-70-2
Standard SMILES: CC=CSCCC
InChIKey: RKVNNVDQIVWRNA-UHFFFAOYSA-N
Molecular formula: C6H12S
Average molar mass: 116.23 g/mol
Monoisotopic mass: 116.06597156

Names & identifiers

Preferred name: Propyl propenyl sulfide
IUPAC: 1-prop-1-enylsulfanylpropane
English name: Allylpropylsulfide
Molecular formula: C6H12S
Molecular weight: 116.22

Names & synonyms

Allylpropylsulfide1-Propene,1-(propylthio)-1-[[(E)-prop-1-enyl]thio]propanePROPYL PROPENYL SULFIDESCHEMBL10961810DTXSID509555111-(PROPYLSULFANYL)PROP-1-ENE4- Thia-2-heptene1-(Propyl thio) propene1-(Propylthio)-1-propene1-propenyl propyl sulfide1-Propylsulfanylprop-1-ene

Show more names

1-Propene, 1-(propylthio)-3-(propylsulfanyl)prop-1-eneAllylpropylsulfide USP/EP/BP

Database identifiers

CAS: 33922-70-2
PubChem CID: 554181
DTXSID: DTXSID50955511

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 25.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 7
Formal charge: 0
Complexity: 48.1

Physicochemical properties

Boiling point: 153 ℃ · 153℃
Density: 0.859 · 0.859
Flash point: 38 ℃ · 38℃
LogP: 3.425 · 3.425 (est)

Chemistry & industry

Suppliers11 total

Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]

Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]

上海遐瑞医药科技有限公司+86 21 61551611

深圳康特腾科技有限公司86-0755-86635001 · [email protected]

厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]

Additional notes

DefinitionChEBI: 1-Propenyl propyl sulfide is an organic sulfide.

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