Butanoic acid, 4-oxo-2-sulfo-4-(1,3,4-thiadiazol-2-ylamino)-
Basic information
- CAS
95896-28-9- Standard SMILES
O=C(CC(C(=O)O)S(=O)(=O)O)Nc1nncs1- InChIKey
QHYFAPXQQNWKPA-UHFFFAOYSA-N- Molecular formula
- C6H7N3O6S2
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 280.9776273
Names & identifiers
- Preferred name
- Butanoic acid, 4-oxo-2-sulfo-4-(1,3,4-thiadiazol-2-ylamino)-
- IUPAC
- 4-oxo-2-sulfo-4-(1,3,4-thiadiazol-2-ylamino)butanoic acid
Names & synonyms
95896-28-94-((1,3,4-Thiadiazol-2-yl)amino)-4-oxo-2-sulfobutanoic acidButanoic acid, 4-oxo-2-sulfo-4-(1,3,4-thiadiazol-2-ylamino)-DTXSID102756214-Oxo-2-sulfo-4-[(1,3,4-thiadiazol-2-yl)amino]butanoic acid
Database identifiers
- CAS
95896-28-9- PubChem CID
- 56975
- DTXSID
DTXSID10275621
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 404
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Related reactions
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Compound notes
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