Cas no 172649-45-5 (2-Thiazolecarboxylic acid,4-(1-methylethyl)-,methyl ester)
172649-45-5 structure
Product Name:2-Thiazolecarboxylic acid,4-(1-methylethyl)-,methyl ester
CAS No:172649-45-5
MF:C8H11NO2S
MW:185.24344086647
CID:905679
PubChem ID:18759001
Update Time:2025-04-19
2-Thiazolecarboxylic acid,4-(1-methylethyl)-,methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiazolecarboxylic acid,4-(1-methylethyl)-,methyl ester
- methyl 4-propan-2-yl-1,3-thiazole-2-carboxylate
- Methyl 4-isopropylthiazole-2-carboxylate
- 172649-45-5
- AKOS006237877
- DOIFBIGMINDWHA-UHFFFAOYSA-N
- DTXSID30595999
- methyl 4-isopropyl-2-thiazolecarboxylate
- Methyl 4-(propan-2-yl)-1,3-thiazole-2-carboxylate
- SCHEMBL2628929
- 2-Thiazolecarboxylic acid,4-(1-methylethyl)-,methyl ester
-
- Inchi： 1S/C8H11NO2S/c1-5(2)6-4-12-7(9-6)8(10)11-3/h4-5H,1-3H3
- InChI Key： DOIFBIGMINDWHA-UHFFFAOYSA-N
- SMILES： S1C(C(=O)OC)=NC(=C1)C(C)C
Computed Properties
- Exact Mass: 185.05104977g/mol
- Monoisotopic Mass: 185.05104977g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 172
- 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
- Topological Polar Surface Area: 67.4?2
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.3
2-Thiazolecarboxylic acid,4-(1-methylethyl)-,methyl ester Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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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
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
172649-45-5 (2-Thiazolecarboxylic acid,4-(1-methylethyl)-,methyl ester) Related Products
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- 439692-05-4(Ethyl 4-cyclopropylthiazole-2-carboxylate)
- 79247-74-8(4-tert-butyl-1,3-thiazole-2-carboxylic acid)
- 156589-82-1(Ethyl 4-isopropylthiazole-2-carboxylate)
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