Basic information
- CAS
20752-39-0- Standard SMILES
O=C(O)[C@H]1CCSS1- InChIKey
SHMXLCRUTGTGGS-GSVOUGTGSA-N- Molecular formula
- C4H6O2S2
- Average molar mass
- 150.2 g/mol
Names & identifiers
- Preferred name
- (3R)-dithiolane-3-carboxylic acid
- IUPAC
- (3R)-dithiolane-3-carboxylic acid
- English name
- 1,2-Dithiolane-3-carboxylicacid,(R)-(-)-(8CI)
- Molecular formula
- C4H6O2S2
- Molecular weight
- 150.22
Names & synonyms
20752-39-01,2-Dithiolane-3-carboxylicacid,(R)-(-)-(8CI)
Database identifiers
- CAS
20752-39-0- Nikkaji
- J761.095E
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 104
Physicochemical properties
- Boiling point
- 323.9 · 323.9±31.0 °C(Predicted)
- Density
- 1.503 · 1.503±0.06 g/cm3(Predicted)
- pka
- 3.62 · 3.62±0.20(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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