Basic information
- CAS
514848-31-8- Standard SMILES
C[C@@H]1CSCC[C@@]1(C)O- InChIKey
AQHCVGIWLDIQKT-RNFRBKRXSA-N- Molecular formula
- C7H14OS
- Average molar mass
- 146.25 g/mol
Names & identifiers
- Preferred name
- (3S,4R)-3,4-dimethylthian-4-ol
- IUPAC
- (3S,4R)-3,4-dimethylthian-4-ol
- English name
- threo-Pentitol, 1,2,4,5-tetradeoxy-1,5-epithio-2-methyl-3-C-methyl- (9CI)
- Molecular formula
- C7H14OS
- Molecular weight
- 146.25
Names & synonyms
threo-Pentitol, 1,2,4,5-tetradeoxy-1,5-epithio-2-methyl-3-C-methyl-threo-Pentitol, 1,2,4,5-tetradeoxy-1,5-epithio-2-methyl-3-C-methyl- (9CI)
Database identifiers
- CAS
514848-31-8- Nikkaji
- J1.830.887H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Boiling point
- 224.6 · 224.6±33.0 °C(Predicted)
- Density
- 1.034 · 1.034±0.06 g/cm3(Predicted)
- pka
- 14.65 · 14.65±0.40(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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