Cas no 62664-42-0 (3-Thiophenecarboxylic acid, 2,4,5-trimethyl-, ethyl ester)
62664-42-0 structure
Product Name:3-Thiophenecarboxylic acid, 2,4,5-trimethyl-, ethyl ester
CAS No:62664-42-0
MF:C10H14O2S
MW:198.281961917877
CID:436144
PubChem ID:57839337
Update Time:2025-04-19
3-Thiophenecarboxylic acid, 2,4,5-trimethyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Thiophenecarboxylic acid, 2,4,5-trimethyl-, ethyl ester
- ethyl 2,4,5-trimethylthiophene-3-carboxylate
- 62664-42-0
- SCHEMBL168027
- DTXSID50728101
-
- Inchi： 1S/C10H14O2S/c1-5-12-10(11)9-6(2)7(3)13-8(9)4/h5H2,1-4H3
- InChI Key： KTUIIRADQCEICZ-UHFFFAOYSA-N
- SMILES： S1C(C)=C(C(=O)OCC)C(C)=C1C
Computed Properties
- Exact Mass: 198.07152
- Monoisotopic Mass: 198.07145086g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 193
- 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
- Topological Polar Surface Area: 54.5?2
Experimental Properties
- PSA: 26.3
3-Thiophenecarboxylic acid, 2,4,5-trimethyl-, ethyl ester Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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