2-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)acetic acid

Base Information

• Chemical Name: 2-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)acetic acid
• CAS No.: 57658-74-9
• Molecular Formula: C4H5N3O2S
• Molecular Weight: 159.169
• DSSTox Substance ID: DTXSID50500181
• Wikidata: Q82351592
• Mol file: 57658-74-9.mol

Synonyms:57658-74-9;2-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)acetic acid;SCHEMBL2211570;SCHEMBL9181061;DTXSID50500181;OYLWNIRWHSRRDC-UHFFFAOYSA-N;3-carboxymethyl-1,2,4-triazole-5-thiol;3-(Carboxymethyl)-1,2,4-triazole-5-thiol;(5-Sulfanylidene-2,5-dihydro-1H-1,2,4-triazol-3-yl)acetic acid;2-(5-thioxo-4, 5-dihydro-1H-1,2,4-triazol-3-yl)acetic acid

Chemical Property of 2-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)acetic acid

Chemical Property:

• XLogP3: -0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 159.01024758
• Heavy Atom Count: 10
• Complexity: 213

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C1=NC(=S)NN1)C(=O)O