Einecs 261-623-3

Base Information

• Chemical Name: Einecs 261-623-3
• CAS No.: 59139-54-7
• Molecular Formula: C19H22N6O6S2
• Molecular Weight: 494.5446
• European Community (EC) Number: 261-623-3
• DSSTox Substance ID: DTXSID40974574

Synonyms:EINECS 261-623-3;59139-54-7;(6R-(6alpha,7beta(R*)))-7-((Amino(4-hydroxyphenyl)acetyl)amino)-8-oxo-3-((1H-1,2,3-triazol-4-ylthio)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, compound with methanol (1:1);[6R-[6alpha,7beta(R*)]]-7-[[amino(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-[(1H-1,2,3-triazol-4-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, compound with methanol (1:1);DTXSID40974574;C18H18N6O5S2.CH4O;C18-H18-N6-O5-S2.C-H4-O;7-{[2-Amino-1-hydroxy-2-(4-hydroxyphenyl)ethylidene]amino}-8-oxo-3-{[(1H-1,2,3-triazol-5-yl)sulfanyl]methyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid--methanol (1/1)

Chemical Property of Einecs 261-623-3

Chemical Property:

• Boiling Point: 948.1°Cat760mmHg
• Flash Point: 527.2°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 494.10422479
• Heavy Atom Count: 33
• Complexity: 777

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CO.C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)CSC4=NNN=C4
• Isomeric SMILES: CO.C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)CSC4=NNN=C4

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