Allyl butyl sulfide
Basic information
- CAS
5399-19-9- Standard SMILES
C=CCSCCCC- InChIKey
HXMYUSWENPCWFT-UHFFFAOYSA-N- Molecular formula
- C7H14S
- Average molar mass
- 130.25 g/mol
- Monoisotopic mass
- 130.08162162
Names & identifiers
- Preferred name
- Allyl butyl sulfide
- IUPAC
- 1-prop-2-enylsulfanylbutane
Names & synonyms
ALLYL BUTYL SULFIDE4-thia-1-octene5399-19-9NSC-11111-butylthioprop-2-ene1-(PROP-2-EN-1-YLSULFANYL)BUTANENSC1111Butyl allyl sulfideSulfide, allyl butylallyl n-butyl sulfiden-C4H9SCH2CH=CH21-[(2-Propenyl)thio]butane
Show more names
1-(2-Propen-1-ylthio)butane9K3E73SV3AButane, 1-(2-propenylthio)-SCHEMBL4937028SCHEMBL7053908SCHEMBL10360095DTXSID40277198HXMYUSWENPCWFT-UHFFFAOYSA-N
Database identifiers
- CAS
5399-19-9- PubChem CID
- 219614
- DTXSID
DTXSID40277198- UNII
- 9K3E73SV3A
- Nikkaji
- J1.198.516E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 50.3
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Compound notes
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