Cas no 68100-13-0 (2-Thiopheneacetic acid, 1-methylethyl ester)
68100-13-0 structure
Product Name:2-Thiopheneacetic acid, 1-methylethyl ester
CAS No:68100-13-0
MF:C9H12O2S
MW:184.255381584167
CID:1724371
PubChem ID:566140
Update Time:2025-04-21
2-Thiopheneacetic acid, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiopheneacetic acid, 1-methylethyl ester
- propan-2-yl 2-thiophen-2-ylacetate
- 2-Thiopheneacetic acid, isopropyl ester
- DTXSID50340625
- AKOS008951312
- 68100-13-0
- Isopropyl 2-thienylacetate #
- CBWSJWWRACSFBY-UHFFFAOYSA-N
-
- Inchi： 1S/C9H12O2S/c1-7(2)11-9(10)6-8-4-3-5-12-8/h3-5,7H,6H2,1-2H3
- InChI Key： CBWSJWWRACSFBY-UHFFFAOYSA-N
- SMILES： S1C=CC=C1CC(=O)OC(C)C
Computed Properties
- Exact Mass: 184.05586
- Monoisotopic Mass: 184.05580079g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 157
- 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: 2.3
- Topological Polar Surface Area: 54.5?2
Experimental Properties
- PSA: 26.3
2-Thiopheneacetic acid, 1-methylethyl ester Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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