Basic information
- Standard SMILES
O=C(O)C(CSCc1ccccc1)N1C(=O)C=CC1=O- InChIKey
DNUZJYGVLXCARK-UHFFFAOYSA-N- Molecular formula
- C14H13NO4S
- Average molar mass
- 291.32 g/mol
Names & identifiers
- Preferred name
- 3-Benzylsulfanyl-2-(2,5-dioxopyrrol-1-yl)propanoic acid
- IUPAC
- 3-benzylsulfanyl-2-(2,5-dioxopyrrol-1-yl)propanoic acid
Database identifiers
- PubChem CID
- 13490346
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 411
Related reactions
1 records
Compound notes
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