3-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic Acid

Base Information

• Chemical Name: 3-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic Acid
• CAS No.: 15909-66-7
• Molecular Formula: C8H6N4O2S
• Molecular Weight: 222.227
• DSSTox Substance ID: DTXSID20354698
• Wikidata: Q82133024
• Mol file: 15909-66-7.mol

Synonyms:3-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic Acid;15909-66-7;Benzoic acid, 3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-;SCHEMBL8021678;DTXSID20354698;FZLLHXXADRILOZ-UHFFFAOYSA-N;AKOS000525988;1-(3-carboxyphenyl)-5-mercaptotetrazole;SR-01000318439;SR-01000318439-1

Chemical Property of 3-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic Acid

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 222.02114662
• Heavy Atom Count: 15
• Complexity: 320

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)N2C(=S)N=NN2)C(=O)O