Cas no 166591-62-4 (5-(3-methylphenyl)thiophene-2-carboxylic Acid)
166591-62-4 structure
Product Name:5-(3-methylphenyl)thiophene-2-carboxylic Acid
CAS No:166591-62-4
MF:C12H10O2S
MW:218.271602153778
CID:1347139
PubChem ID:10536803
Update Time:2025-04-20
5-(3-methylphenyl)thiophene-2-carboxylic Acid Chemical and Physical Properties
Names and Identifiers
-
- 5-(3-methylphenyl)thiophene-2-carboxylic acid
- BB 0223530
- 5-(3-Methylphenyl)-2-thiophenecarboxylic acid
- AB1008178
- SureCN5842337
- AKOS BAR-1231
- RWYDBBASVZAWFT-UHFFFAOYSA-N
- SCHEMBL5842337
- 166591-62-4
- AKOS004118797
- DTXSID30441427
- Z382787434
- 5-(3-methylphenyl)thiophene-2-carboxylic Acid
-
- Inchi： 1S/C12H10O2S/c1-8-3-2-4-9(7-8)10-5-6-11(15-10)12(13)14/h2-7H,1H3,(H,13,14)
- InChI Key： RWYDBBASVZAWFT-UHFFFAOYSA-N
- SMILES： S1C(C(=O)O)=CC=C1C1C=CC=C(C)C=1
Computed Properties
- Exact Mass: 218.0402
- Monoisotopic Mass: 218.04015073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 242
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 65.5?2
Experimental Properties
- PSA: 37.3
5-(3-methylphenyl)thiophene-2-carboxylic Acid Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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