4-Oxo-4-((1,3,4-thiadiazol-2-yl)amino)-2-butenoic acid methyl ester

Base Information

• Chemical Name: 4-Oxo-4-((1,3,4-thiadiazol-2-yl)amino)-2-butenoic acid methyl ester
• CAS No.: 90278-94-7
• Molecular Formula: C7H7N3O3S
• Molecular Weight: 213.2138
• Wikidata: Q76327023
• Mol file: 90278-94-7.mol

Synonyms:BRN 5540236;4-Oxo-4-((1,3,4-thiadiazol-2-yl)amino)-2-butenoic acid methyl ester;2-BUTENOIC ACID, 4-OXO-4-((1,3,4-THIADIAZOL-2-YL)AMINO)-, METHYL ESTER;90278-94-7

Chemical Property of 4-Oxo-4-((1,3,4-thiadiazol-2-yl)amino)-2-butenoic acid methyl ester

Chemical Property:

• Density: 1.469g/cm³
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 213.02081227
• Heavy Atom Count: 14
• Complexity: 257

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C=CC(=O)NC1=NN=CS1
• Isomeric SMILES: COC(=O)/C=C/C(=O)NC1=NN=CS1