1-(Methyldisulfanyl)hexane
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Basic information
- CAS
64580-52-5- Standard SMILES
CCCCCCSSC- InChIKey
WZUAZKYWEVGSEC-UHFFFAOYSA-N- Molecular formula
- C7H16S2
- Average molar mass
- 164.3 g/mol
- Monoisotopic mass
- 164.06934286
Overview
Disulfide, hexyl methyl has been reported in Rosa canina with data available.
Names & identifiers
- Preferred name
- 1-(Methyldisulfanyl)hexane
- IUPAC
- 1-(methyldisulfanyl)hexane
- English name
- Hexylmethyl persulfide
- Molecular formula
- C7H16S2
- Molecular weight
- 164.33
Names & synonyms
1-(Methyldisulfanyl)hexaneMethyl n-hexyl disulfideDisulfide, hexyl methyl64580-52-5Hexyl methyl disulfide1-(Methyldisulfanyl)hexane #SCHEMBL3380906DTXSID50336780Hexylmethyl persulfide
Database identifiers
- CAS
64580-52-5- PubChem CID
- 536236
- DTXSID
DTXSID50336780- Nikkaji
- J390.563B
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 46.2
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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