Basic information
- Standard SMILES
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)CC3SC2)s1- InChIKey
UOWHFCPGNQOIGP-UHFFFAOYSA-N- Molecular formula
- C11H11N3O3S3
- Average molar mass
- 329.4 g/mol
Names & identifiers
- Preferred name
- 3-[(2-Methyl-1,3,4-thiadiazol-5-yl-thio)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- IUPAC
- 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Names & synonyms
UOWHFCPGNQOIGP-UHFFFAOYSA-N3-[(2-methyl-1,3,4-thiadiazol-5-yl-thio)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Database identifiers
- PubChem CID
- 21436656
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 485
Related reactions
2 records
Compound notes
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