2-(Benzyldithio)succinic acid
Basic information
- CAS
94520-49-7- Standard SMILES
O=C(O)CC(SSCc1ccccc1)C(=O)O- InChIKey
ULHKCUJOONCJHB-UHFFFAOYSA-N- Molecular formula
- C11H12O4S2
- Average molar mass
- 272.3 g/mol
- Monoisotopic mass
- 272.01770121
Names & identifiers
- Preferred name
- 2-(Benzyldithio)succinic acid
- IUPAC
- 2-(benzyldisulfanyl)butanedioic acid
Names & synonyms
2-(Benzyldithio)succinic acid94520-49-7NSC 403806NSC4038062-(benzyldisulfanyl)butanedioic acidNSC-403806
Database identifiers
- CAS
94520-49-7- PubChem CID
- 345889
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
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Compound notes
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