4-Thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-(ethylthio)-6-((1R)-1-hydroxyethyl)-7-oxo-, (5R,6S)-

Base Information

• Chemical Name: 4-Thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-(ethylthio)-6-((1R)-1-hydroxyethyl)-7-oxo-, (5R,6S)-
• CAS No.: 77646-83-4
• Molecular Formula: C10H13NO4S2
• Molecular Weight: 275.3445
• UNII: VC3PP3FE5P
• ChEMBL ID: CHEMBL1206854
• Nikkaji Number: J23.748E

Synonyms:6-(1-hydroxyethyl)-2-ethylthiopenem-3-carboxylic acid;Sch 29482;Sch-29482

Chemical Property of 4-Thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-(ethylthio)-6-((1R)-1-hydroxyethyl)-7-oxo-, (5R,6S)-

Chemical Property:

• Vapor Pressure: 4.89E-12mmHg at 25°C
• Boiling Point: 498.7°Cat760mmHg
• Flash Point: 255.4°C
• Density: 1.57g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 275.02860024
• Heavy Atom Count: 17
• Complexity: 409

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC1=C(N2C(S1)C(C2=O)C(C)O)C(=O)O
• Isomeric SMILES: CCSC1=C(N2[C@H](S1)[C@H](C2=O)[C@@H](C)O)C(=O)O

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