Acibenzolar

Base Information

• Chemical Name: Acibenzolar
• CAS No.: 126448-41-7
• Molecular Formula: C7H4 N2 O S2
• Molecular Weight: 210.276
• UNII: TR536JBP4L
• DSSTox Substance ID: DTXSID20155187
• Nikkaji Number: J1.687.964I
• Wikipedia: Acibenzolar
• Wikidata: Q341304
• Metabolomics Workbench ID: 66296
• Mol file: 126448-41-7.mol

Synonyms:Acibenzolar;126448-41-7;1,2,3-benzothiadiazole-7-carbothioic S-acid;Acibenzolar [ISO];1,2,3-Benzothiadiazole-7-carbothioic acid;UNII-TR536JBP4L;TR536JBP4L;benzo[1,2,3]thiadiazole-7-carbothioic S-acid;Benzo[d][1,2,3]thiadiazole-7-carbothioic O-acid;BENZO(1,2,3)THIADIAZOLE-7-CARBOTHIOIC S-ACID;starbld0005931;SCHEMBL73948;CHEBI:73185;DTXSID20155187;benzo(1,2,3)thiadiazole-7-carbothioic acid;Q341304

Chemical Property of Acibenzolar

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 331.8°Cat760mmHg
• PKA: 2.00±0.10(Predicted)
• Flash Point: 154.5°C
• PSA: 109.89000
• Density: 1.45g/cm³
• LogP: 1.76130
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 195.97650510
• Heavy Atom Count: 12
• Complexity: 200

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C2C(=C1)N=NS2)C(=O)S