Basic information
- CAS
67421-87-8- Standard SMILES
CCC(C)SSC- InChIKey
QTWVOHZEDPQFTP-UHFFFAOYSA-N- Molecular formula
- C5H12S2
- Average molar mass
- 136.3 g/mol
- Monoisotopic mass
- 136.03804273
Overview
2-(methyldisulfanyl)butane has been reported in Ferula sinkiangensis and Ferula assa-foetida with data available.
Names & identifiers
- Preferred name
- Methyl sec-butyl disulfide
- IUPAC
- 2-(methyldisulfanyl)butane
Names & synonyms
Methyl sec-butyl disulfideMethyl sec-butyl disulphideDisulfide, methyl 1-methylpropyl3-Methyl-4,5-dithiahexane2-Butylmethyldisulfidsec-butyl methyl disulfanesec-Butyl methyl disulfideDisulfide, sec-butyl methyl67421-87-8SCHEMBL18133318QTWVOHZEDPQFTP-UHFFFAOYSA-NDTXSID801366952
Database identifiers
- CAS
67421-87-8- PubChem CID
- 522263
- DTXSID
DTXSID801366952- Nikkaji
- J586.530A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 37.1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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