Basic information
- CAS
105850-95-1- Standard SMILES
COC(=O)[C@H]1CSC[C@H]1C(=O)OC- InChIKey
DHKCGAJEQXUMME-OLQVQODUSA-N- Molecular formula
- C8H12O4S
- Average molar mass
- 204.25 g/mol
- Monoisotopic mass
- 204.04563003
Names & identifiers
- Preferred name
- rel-3,4-Dimethyl (3S,4R)-tetrahydro-3,4-thiophenedicarboxylate
- IUPAC
- dimethyl (3R,4S)-thiolane-3,4-dicarboxylate
Names & synonyms
105850-95-1rel-3,4-Dimethyl (3S,4R)-tetrahydro-3,4-thiophenedicarboxylateRefChem:379208SCHEMBL68475DTXSID501179893dimethyl (3R,4S)-thiolane-3,4-dicarboxylate
Database identifiers
- CAS
105850-95-1- PubChem CID
- 13624322
- DTXSID
DTXSID501179893- Nikkaji
- J803.005G
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 194
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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