4-Isothiazol-5-ylbenzoic acid

Base Information

• Chemical Name: 4-Isothiazol-5-ylbenzoic acid
• CAS No.: 904085-97-8
• Molecular Formula: C10H7 N O2 S
• Molecular Weight: 205.23308
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90699361
• Wikidata: Q82630254
• Mol file: 904085-97-8.mol

Synonyms:904085-97-8;4-ISOTHIAZOL-5-YLBENZOIC ACID;4-(Isothiazol-5-yl)benzoic acid;4-(1,2-thiazol-5-yl)benzoic acid;4-Isothiazol-5-yl-benzoic acid;4-(Isothiazol-5-yl)benzoicacid;DTXSID90699361;6-hydroxy-1,2,3,4-Tetrahydro-quinolin;AM807420;BENZOIC ACID,4-(5-ISOTHIAZOLYL)-;FT-0732074;A849053

Chemical Property of 4-Isothiazol-5-ylbenzoic acid

Chemical Property:

• PSA: 78.43000
• LogP: 2.50830
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 205.01974964
• Heavy Atom Count: 14
• Complexity: 214

Purity/Quality:

99%min ^*data from raw suppliers

4-(Isothiazol-5-yl)benzoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC=NS2)C(=O)O