Basic information
- CAS
10008-75-0- Standard SMILES
O=C(O)[C@@H](S)[C@H](S)C(=O)O- InChIKey
ACTRVOBWPAIOHC-LWMBPPNESA-N- Molecular formula
- C4H6O4S2
- Average molar mass
- 182.2 g/mol
- Monoisotopic mass
- 181.97075067
Names & identifiers
- Preferred name
- rel-(2R,3R)-2,3-Dimercaptobutanedioic acid
- IUPAC
- (2R,3R)-2,3-bis(sulfanyl)butanedioic acid
Names & synonyms
DL-2,3-Dimercaptosuccinic acid10008-75-02,3-Dimercaptosuccinic acid, DL-D4Q64MO44ZRefChem:1097988rel-(2R,3R)-2,3-Dimercaptobutanedioic acidDL-Dimercaptosuccinic acid2,3-Dimercaptosuccinic acid, (-)-UNII-K853KBN17QK853KBN17Qrac-2,3-Dimercaptosuccinic AcidSuccinic acid, 2,3-dimercapto-, (2R,3R)-(-)-
Show more names
27887-84-9(2R,3R)-2,3-Dimercaptosuccinic acidDL-DmsaUNII-D4Q64MO44ZSuccinic acid, 2,3-dimercapto-, (+-)-NSC-16866(2R,3R)-2,3-bis(sulfanyl)butanedioic acidNCIStruc1_000441
Database identifiers
- CAS
10008-75-0、27887-84-9- PubChem CID
- 197883
- DTXSID
DTXSID10872497- ChEMBL
CHEMBL1444997- UNII
- D4Q64MO44Z、K853KBN17Q
- Nikkaji
- J586.782G
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 139
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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