Cas no 1261926-09-3 (5-Methyl-2-(2-methylthiophenyl)benzoic acid)
5-Methyl-2-(2-methylthiophenyl)benzoic acid is a substituted benzoic acid derivative featuring a methylthiophenyl moiety at the 2-position and a methyl group at the 5-position of the benzene ring. This structural configuration imparts unique electronic and steric properties, making it a valuable intermediate in organic synthesis and pharmaceutical research. The compound's aromatic and thioether functionalities enhance its reactivity in cross-coupling reactions and its potential as a building block for bioactive molecules. Its well-defined structure and stability under standard conditions facilitate precise modifications, supporting applications in medicinal chemistry and material science. The product is typically characterized by high purity and consistent performance in synthetic workflows.
1261926-09-3 structure
Product Name:5-Methyl-2-(2-methylthiophenyl)benzoic acid
CAS No:1261926-09-3
MF:C15H14O2S
MW:258.335463047028
MDL:MFCD18320455
CID:2763933
PubChem ID:53226357
Update Time:2025-05-27
5-Methyl-2-(2-methylthiophenyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 5-METHYL-2-(2-METHYLTHIOPHENYL)BENZOIC ACID
- 5-methyl-2-(2-methylsulfanylphenyl)benzoic acid
- MFCD18320455
- 1261926-09-3
- 5-Methyl-2-(2-methylthiophenyl)benzoic acid, 95%
- 5-Methyl-2-(2-methylthiophenyl)benzoic acid
-
- MDL： MFCD18320455
- Inchi： 1S/C15H14O2S/c1-10-7-8-11(13(9-10)15(16)17)12-5-3-4-6-14(12)18-2/h3-9H,1-2H3,(H,16,17)
- InChI Key： GUXVGEHEHVKYLO-UHFFFAOYSA-N
- SMILES： S(C)C1C=CC=CC=1C1C=CC(C)=CC=1C(=O)O
Computed Properties
- Exact Mass: 258.07145086Da
- Monoisotopic Mass: 258.07145086Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 292
- 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: 4
- Topological Polar Surface Area: 62.6?2
5-Methyl-2-(2-methylthiophenyl)benzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB327635-5 g |
5-Methyl-2-(2-methylthiophenyl)benzoic acid, 95%; . |
1261926-09-3 | 95% | 5 g |
€1,159.00 | 2023-07-19 | |
| abcr | AB327635-5g |
5-Methyl-2-(2-methylthiophenyl)benzoic acid, 95%; . |
1261926-09-3 | 95% | 5g |
€1159.00 | 2025-04-21 |
5-Methyl-2-(2-methylthiophenyl)benzoic acid Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
1261926-09-3 (5-Methyl-2-(2-methylthiophenyl)benzoic acid) Related Products
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- 168618-43-7( )
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