Disulfide, 1-methylpropyl propyl
Basic information
- CAS
59849-54-6- Standard SMILES
CCCSSC(C)CC- InChIKey
KHTNPVYWCGRQEA-UHFFFAOYSA-N- Molecular formula
- C7H16S2
- Average molar mass
- 164.3 g/mol
- Monoisotopic mass
- 164.06934286
Overview
Disulfide, 1-methylpropyl propyl has been reported in Ferula sinkiangensis and Ferula assa-foetida with data available.
Names & identifiers
- Preferred name
- Disulfide, 1-methylpropyl propyl
- IUPAC
- 2-(propyldisulfanyl)butane
Names & synonyms
Disulfide, 1-methylpropyl propyln-Propyl sec-butyl disulfide2-(propyldisulfanyl)butane59849-54-6sec-Butyl propyl disulfiden-propyl s-butyl disulfide3-Methyl-4,5-dithiaoctane1-Propyl sec-butyl disulfideSCHEMBL20858115DTXSID60334772
Database identifiers
- CAS
59849-54-6- PubChem CID
- 521902
- DTXSID
DTXSID60334772- Nikkaji
- J543.245F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 54.9
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Compound notes
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