Cas no 33668-06-3 (2-Thiophenecarboxylic acid, 3,4-dimethyl-, methyl ester)
33668-06-3 structure
Product Name:2-Thiophenecarboxylic acid, 3,4-dimethyl-, methyl ester
CAS No:33668-06-3
MF:C8H10O2S
MW:170.228801250458
CID:1459448
PubChem ID:18735163
Update Time:2025-04-20
2-Thiophenecarboxylic acid, 3,4-dimethyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylic acid, 3,4-dimethyl-, methyl ester
- methyl 3,4-dimethylthiophene-2-carboxylate
- SY346342
- MFCD26402418
- 33668-06-3
- MVYRYONHXOTEKE-UHFFFAOYSA-N
- DA-06717
- SCHEMBL167302
-
- Inchi： 1S/C8H10O2S/c1-5-4-11-7(6(5)2)8(9)10-3/h4H,1-3H3
- InChI Key： MVYRYONHXOTEKE-UHFFFAOYSA-N
- SMILES： S1C=C(C)C(C)=C1C(=O)OC
Computed Properties
- Exact Mass: 170.0402
- Monoisotopic Mass: 170.04015073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 158
- 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: 2.5
- Topological Polar Surface Area: 54.5?2
Experimental Properties
- PSA: 26.3
2-Thiophenecarboxylic acid, 3,4-dimethyl-, methyl ester Related Literature
-
L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
-
Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
33668-06-3 (2-Thiophenecarboxylic acid, 3,4-dimethyl-, methyl ester) Related Products
- 21676-89-1(3-Phenylthiophene-2-carboxylic Acid Methyl Ester)
- 81452-54-2(Methyl 3-methylthiophene-2-carboxylate)
- 14300-68-6(dimethyl thiophene-2,3-dicarboxylate)
- 28686-90-0(Methyl 4-methylthiophene-2-carboxylate)
- 14300-64-2(Ethyl 3-methylthiophene-2-carboxylate)
- 115777-72-5(2-(Methoxycarbonyl)thiophene-3-carboxylic acid)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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