Methyl tert-butyl disulfide
Basic information
- CAS
35166-82-6- Standard SMILES
CSSC(C)(C)C- InChIKey
JEGYOGCWPYGLIB-UHFFFAOYSA-N- Molecular formula
- C5H12S2
- Average molar mass
- 136.3 g/mol
- Monoisotopic mass
- 136.03804273
Names & identifiers
- Preferred name
- Methyl tert-butyl disulfide
- IUPAC
- 2-methyl-2-(methyldisulfanyl)propane
- English name
- tert-Butylmethyl persulfide
- Molecular formula
- C5H12S2
- Molecular weight
- 136.28
Names & synonyms
Methyl tert-butyl disulfidetert-Butyl Methyl disulfideDisulfide, 1,1-dimethylethyl methylMethyl tert-butyl disulphideMethyl t-butyl disulfideDisulfide, tert-butyl methylDTXSID10747072,2-Dimethyl-3,4-dithiapentane2-Methyl-2-propyl methyl disulfideRefChem:356866DTXCID1038951JEGYOGCWPYGLIB-UHFFFAOYSA-N
Show more names
35166-82-62-methyl-2-(methyldisulfanyl)propanetert-Butylmethyl persulfideSCHEMBL84630SCHEMBL445363SCHEMBL19306475methyl-(1,1-dimethylethyl)disulfide
Database identifiers
- CAS
35166-82-6- PubChem CID
- 141968
- DTXSID
DTXSID1074707- Nikkaji
- J101.216I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 44.5
Physicochemical properties
- Melting point
- -51.197 °C · -51.197 °C
- Boiling point
- 68 · 68-69 °C(Press: 40 Torr)
- Density
- 0.98 · 0.980±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 1 · Disulfide, 1,1-dimethylethyl methyl (35166-82-6)
Chemistry & industry
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