Basic information
- CAS
6301-46-8- Standard SMILES
CC(C)SC(CC(O)C(O)CO)SC(C)C- InChIKey
IRUFIBUNWDMBNL-UHFFFAOYSA-N- Molecular formula
- C11H24O3S2
- Average molar mass
- 268.4 g/mol
- Monoisotopic mass
- 268.11668697
Names & identifiers
- Preferred name
- 5,5-Bis(propan-2-ylsulfanyl)pentane-1,2,3-triol
- IUPAC
- 5,5-bis(propan-2-ylsulfanyl)pentane-1,2,3-triol
- English name
- 5,5-bis(propan-2-ylsulfanyl)pentane-1,2,3-triol
- Molecular formula
- C11H24O3S2
- Molecular weight
- 268.44
Names & synonyms
6301-46-85,5-bis(propan-2-ylsulfanyl)pentane-1,2,3-triol2-Deoxyribose diisopropylmercaptalNSC43885SCHEMBL31597097DTXSID80286128IRUFIBUNWDMBNL-UHFFFAOYSA-NNSC-438855,5-Bis[(propan-2-yl)sulfanyl]pentane-1,2,3-triolD-erythro-Pentose, 2-deoxy-, diisopropyl mercaptal (8CI)
Database identifiers
- CAS
6301-46-8- PubChem CID
- 239089
- DTXSID
DTXSID80286128
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Boiling point
- 444.282 · 444.282±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.155 · 1.155±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.66 · 13.660±0.20(predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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