2-(Acetylsulfanyl)butanedioic acid
Basic information
- CAS
6332-90-7- Standard SMILES
CC(=O)SC(CC(=O)O)C(=O)O- InChIKey
SVOAXTTVWPHOQW-UHFFFAOYSA-N- Molecular formula
- C6H8O5S
- Average molar mass
- 192.19 g/mol
- Monoisotopic mass
- 192.00924453
Names & identifiers
- Preferred name
- 2-(Acetylsulfanyl)butanedioic acid
- IUPAC
- 2-acetylsulfanylbutanedioic acid
Names & synonyms
2-(acetylsulfanyl)butanedioic acid6332-90-7DTXSID90284736RefChem:253093DTXCID70235887NSC38767s-acetylmercaptosuccinic acidSCHEMBL233154NSC-38767
Database identifiers
- CAS
6332-90-7- PubChem CID
- 236345
- DTXSID
DTXSID90284736
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…