1,2-Dithiolane-3,5-dicarboxylic acid
Basic information
- CAS
1126-47-2- Standard SMILES
O=C(O)C1CC(C(=O)O)SS1- InChIKey
OBKGJBFGGPSACP-UHFFFAOYSA-N- Molecular formula
- C5H6O4S2
- Average molar mass
- 194.2 g/mol
- Monoisotopic mass
- 193.97075102
Names & identifiers
- Preferred name
- 1,2-Dithiolane-3,5-dicarboxylic acid
- IUPAC
- dithiolane-3,5-dicarboxylic acid
Names & synonyms
1,2-DITHIOLANE-3,5-DICARBOXYLIC ACID1126-47-2PH 800/81,2-Dithiolane-3,5-dicarbonic acidNSC 72272RefChem:72044dithiolane-3,5-dicarboxylic acidNSC72272MLS002693775C5H6O4S2NCIOpen2_000502CHEMBL1704763
Show more names
SCHEMBL14058874DTXSID501289729HMS3085B23NSC-72272SMR001559716
Database identifiers
- CAS
1126-47-2- PubChem CID
- 14308
- DTXSID
DTXSID501289729- ChEMBL
CHEMBL1704763
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 173
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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