Cas no 94023-53-7 (3-Thiopheneacetic acid,2-methylpropyl ester)
94023-53-7 structure
Product Name:3-Thiopheneacetic acid,2-methylpropyl ester
CAS No:94023-53-7
MF:C10H14O2S
MW:198.281961917877
CID:809372
PubChem ID:3023341
Update Time:2025-04-19
3-Thiopheneacetic acid,2-methylpropyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Thiopheneacetic acid,2-methylpropyl ester
- 2-methylpropyl 2-thiophen-3-ylacetate
- isobutyl 3-thienylacetate
- EINECS 301-651-6
- DTXSID10240314
- NS00039921
- 94023-53-7
-
- Inchi： 1S/C10H14O2S/c1-8(2)6-12-10(11)5-9-3-4-13-7-9/h3-4,7-8H,5-6H2,1-2H3
- InChI Key： DEPSFIADZHYHQA-UHFFFAOYSA-N
- SMILES： S1C=CC(=C1)CC(=O)OCC(C)C
Computed Properties
- Exact Mass: 198.071
- Monoisotopic Mass: 198.071
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 168
- 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: 2.8
- Topological Polar Surface Area: 54.5?2
Experimental Properties
- Density: 1.091
- Boiling Point: 259.7°Cat760mmHg
- Flash Point: 110.9°C
- Refractive Index: 1.511
3-Thiopheneacetic acid,2-methylpropyl ester Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
94023-53-7 (3-Thiopheneacetic acid,2-methylpropyl ester) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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