Butane, 3-methyl-1,1-bis(methylthio)-
Basic information
- CAS
72928-33-7- Standard SMILES
CSC(CC(C)C)SC- InChIKey
JKSYPILEIRVFAL-UHFFFAOYSA-N- Molecular formula
- C7H16S2
- Average molar mass
- 164.3 g/mol
- Monoisotopic mass
- 164.06934286
Names & identifiers
- Preferred name
- Butane, 3-methyl-1,1-bis(methylthio)-
- IUPAC
- 3-methyl-1,1-bis(methylsulfanyl)butane
- English name
- 3-methyl-1,1-bis(methylthio)butane
- Molecular formula
- C7H16S2
- Molecular weight
- 164.33194
Names & synonyms
Butane, 3-methyl-1,1-bis(methylthio)-Isovaleraldehyde, dimethyl thioacetal3-Methyl-1,1-bis(methylthio)butaneEINECS 277-066-4DTXSID8072665RefChem:122005DTXCID4047418277-066-472928-33-73-methyl-1,1-bis(methylsulfanyl)butaneSCHEMBL15796415JKSYPILEIRVFAL-UHFFFAOYSA-N
Show more names
NS00060017
Database identifiers
- CAS
72928-33-7- PubChem CID
- 166365
- DTXSID
DTXSID8072665- EC Number
- 277-066-4
- Nikkaji
- J296.403A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 57.9
Physicochemical properties
- LogP
- 2.972 · 2.972 (est)
- EPA Substance Registry System
- 3 · Butane, 3-methyl-1,1-bis(methylthio)- (72928-33-7)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Butane, 3-methyl-1,1-bis(methylthio)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButane, 3-methyl-1,1-bis(methylthio)-: INACTIVE
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Related reactions
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Compound notes
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