Basic information
- Standard SMILES
CCSCC1=C(C(=O)O)N2C(=O)C(N)[C@H]2SC1- InChIKey
SYJMDMSHUXBXHL-IOJJLOCKSA-N- Molecular formula
- C10H14N2O3S2
- Average molar mass
- 274.4 g/mol
Names & identifiers
- Preferred name
- 7-Amino-3ethylthiomethyl-3-cephem-4-carboxylic acid
- IUPAC
- (6R)-7-amino-3-(ethylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Names & synonyms
SCHEMBL8869325SYJMDMSHUXBXHL-IOJJLOCKSA-N7-amino-3ethylthiomethyl-3-cephem-4-carboxylic acid7-amino-3-ethylthiomethyl-3-cephem-4-carboxylic acid
Database identifiers
- PubChem CID
- 67712901
Properties
Computed structural properties
- XLogP
- -2.9
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 397
Related reactions
2 records
Compound notes
Loading…