5-[(4-Chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid

Base Information

• Chemical Name: 5-[(4-Chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid
• CAS No.: 338760-78-4
• Molecular Formula: C9H5ClN2O2S2
• Molecular Weight: 272.73
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50377259
• Wikidata: Q82166416
• ChEMBL ID: CHEMBL1794748
• Mol file: 338760-78-4.mol

Synonyms:4-carboxy-5-((4-chlorophenyl)sulfanyl)-1,2,3-thiadiazole;CCPST cpd

Chemical Property of 5-[(4-Chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid

Chemical Property:

• Melting Point: 189-190°C
• Boiling Point: 457.8±55.0 °C(Predicted)
• PKA: 2.02±0.36(Predicted)
• PSA: 116.62000
• Density: 1.68±0.1 g/cm3(Predicted)
• LogP: 3.04090
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 271.9480974
• Heavy Atom Count: 16
• Complexity: 262

Purity/Quality:

98%min ^*data from raw suppliers

5-[(4-Chlorophenyl)thio]-1,2,3-thiadiazole-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1SC2=C(N=NS2)C(=O)O)Cl
• Uses: 5-[(4-Chlorophenyl)thio]-1,2,3-thiadiazole-4-carboxylic Acid (cas# 338760-78-4) is a compound useful in organic synthesis.