(6S,7S)-7-amino-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 hydrochloride
[CAS# 98493-37-9]

Identification

• Name: (6S,7S)-7-amino-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 hydrochloride
• Synonyms: (6R-trans)-7-amino-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid monohydrochloride
• Molecular Formula: C₁₁H₁₃ClN₄O₃S₃
• Molecular Weight: 380.89
• CAS Registry Number: 98493-37-9
• EINECS: 308-781-2
• SMILES: Cl.OC(=O)C=2N3C(=O)[C@H](N)[C@@H]3SCC=2CSc1nnc(C)s1
• InChI: 1S/C11H12N4O3S3.ClH/c1-4-13-14-11(21-4)20-3-5-2-19-9-6(12)8(16)15(9)7(5)10(17)18;/h6,9H,2-3,12H2,1H3,(H,17,18);1H/t6-,9-;/m0./s1
• InChIKey: QCGMGZYJJDBFCC-YDYUUSCQSA-N

Properties

• Boiling point: 684.1°C at 760 mmHg (Cal.)
• Flash point: 367.5°C (Cal.)