Ethyl 4-((4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)amino)benzoate

Base Information

• Chemical Name: Ethyl 4-((4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)amino)benzoate
• CAS No.: 71486-55-0
• Molecular Formula: C11H11 N3 O2 S2
• Molecular Weight: 281.35394
• European Community (EC) Number: 275-529-5
• DSSTox Substance ID: DTXSID30221701
• Nikkaji Number: J342.541J
• Wikidata: Q83099636
• Mol file: 71486-55-0.mol

Synonyms:71486-55-0;Ethyl 4-((4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)amino)benzoate;EINECS 275-529-5;ETHYL 4-[(4,5-DIHYDRO-5-THIOXO-1,3,4-THIADIAZOL-2-YL)AMINO]BENZOATE;DTXSID30221701;4-[[[(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol)]-2-yl]amino]benzoic acid ethyl ester

Chemical Property of Ethyl 4-((4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)amino)benzoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 404.974°C at 760 mmHg
• Flash Point: 198.721°C
• PSA: 131.15000
• Density: 1.458g/cm³
• LogP: 2.82010
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 281.02926895
• Heavy Atom Count: 18
• Complexity: 365

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)NC2=NNC(=S)S2

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