2-(3-Methyl-1-benzothiophene-2-carbonyl)benzoic acid

Base Information

• Chemical Name: 2-(3-Methyl-1-benzothiophene-2-carbonyl)benzoic acid
• CAS No.: 175203-98-2
• Molecular Formula: C17H12 O3 S
• Molecular Weight: 296.34000
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20381585
• Wikidata: Q82172488
• ChEMBL ID: CHEMBL1390399
• Mol file: 175203-98-2.mol

Synonyms:175203-98-2;2-(3-methyl-1-benzothiophene-2-carbonyl)benzoic acid;2-[(3-methylbenzo[b]thiophen-2-yl)carbonyl]benzoic acid;MLS001182112;SMR000567813;2-(3-methylbenzothiophene-2-carbonyl)benzoic acid;2-[(3-Methylbenzo[b]thiophen -2-yl)carbonyl]benzoic acid;Benzoic acid, 2-[(3-methylbenzo[b]thien-2-yl)carbonyl]-;CDS1_000837;Maybridge1_005589;Oprea1_176358;DivK1c_001877;CHEMBL1390399;BDBM66788;cid_2779879;HMS557G01;DTXSID20381585;HMS2886F06;CCG-45289;MFCD00173843;AKOS005199262;FT-0610801;SR-01000635067-1;2-(3-Methylbenzo[b]thiophene-2-carbonyl)benzoic acid;Benzoicacid,2-[(3-methylbenzo[b]thien-2-yl)carbonyl]-;2-[(3-methyl-1-benzothiophen-2-yl)-oxomethyl]benzoic acid;2-[(3-methyl-1-benzothiophen-2-yl)carbonyl]benzoic acid;2-[(3-MethylbenZo[b]thiophene-2-yl carbonyl] benZoic acid;2-[(3-METHYLBENZO[B]THIOPHEN-2-YL)CARBONYL]BENZOICACID

Chemical Property of 2-(3-Methyl-1-benzothiophene-2-carbonyl)benzoic acid

Chemical Property:

• Vapor Pressure: 2.75E-11mmHg at 25°C
• Melting Point: 181oC
• Boiling Point: 511.5oC at 760 mmHg
• Flash Point: 263.1oC
• PSA: 82.61000
• Density: 1.347g/cm3
• LogP: 4.13890
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 296.05071541
• Heavy Atom Count: 21
• Complexity: 422

Purity/Quality:

98%min ^*data from raw suppliers

2-[(3-METHYLBENZO[B]THIOPHEN-2-YL)CARBONYL]BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC2=CC=CC=C12)C(=O)C3=CC=CC=C3C(=O)O