Basic information
- CAS
33672-51-4- Standard SMILES
CCCSSC(C)C- InChIKey
YCBVTHJPQCNICU-UHFFFAOYSA-N- Molecular formula
- C6H14S2
- Average molar mass
- 150.3 g/mol
- Monoisotopic mass
- 150.05369245
Overview
Isopropyl propyl disulphide has been reported in Allium cepa with data available.
Names & identifiers
- Preferred name
- Isopropyl propyl disulfide
- IUPAC
- 1-(propan-2-yldisulfanyl)propane
- English name
- isopropyl propyl disulphide
- Molecular formula
- C6H14S2
- Molecular weight
- 150.31
Names & synonyms
Isopropyl propyl disulfideIsopropyl propyl disulphideDisulfide, isopropyl propyl33672-51-4Disulfide, 1-methylethyl propyl2-methyl-3,4-dithiaheptane1-(propan-2-yldisulfanyl)propaneEINECS 251-628-9Propyl isopropyl disulfide2-isopropyldisulfanylpropane1-(Isopropyldisulfanyl)propaneSCHEMBL2589138
Show more names
Isopropylpropyl persulfide
DTXSID101873511-[(Propan-2-yl)disulfanyl]propaneAKOS006328338NS00029522
Database identifiers
- CAS
33672-51-4- PubChem CID
- 118529
- DTXSID
DTXSID10187351- EC Number
- 251-628-9
- Nikkaji
- J100.002K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 43.8
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -77.24 °C · -77.24°C (estimate)
- Boiling point
- 183.85 °C · 183.85°C
- Density
- 0.9769 · 0.9769 (estimate)
- refractive index
- 1.5221 · 1.5221 (estimate)
- form
- liquid (estimate)
Related reactions
7 records
Compound notes
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