Cas no 113366-47-5 (5-Thiazolecarboxylic acid, 2-(3-butenyl)-4-methyl-)
113366-47-5 structure
Product Name:5-Thiazolecarboxylic acid, 2-(3-butenyl)-4-methyl-
CAS No:113366-47-5
MF:C9H11NO2S
MW:197.2541410923
CID:1201840
PubChem ID:13835294
Update Time:2025-04-20
5-Thiazolecarboxylic acid, 2-(3-butenyl)-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 5-Thiazolecarboxylic acid, 2-(3-butenyl)-4-methyl-
- 2-(but-3-en-1-yl)-4-methylthiazole-5-carboxylic acid
- WS-00864
- E71666
- 2-but-3-enyl-4-methyl-1,3-thiazole-5-carboxylic acid
- 113366-47-5
-
- Inchi： 1S/C9H11NO2S/c1-3-4-5-7-10-6(2)8(13-7)9(11)12/h3H,1,4-5H2,2H3,(H,11,12)
- InChI Key： FVKARVUDNAZUFN-UHFFFAOYSA-N
- SMILES： S1C(C(=O)O)=C(C)N=C1CCC=C
Computed Properties
- Exact Mass: 197.05113
- Monoisotopic Mass: 197.05104977g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 208
- 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: 2.6
- Topological Polar Surface Area: 78.4?2
Experimental Properties
- PSA: 50.19
5-Thiazolecarboxylic acid, 2-(3-butenyl)-4-methyl- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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