Cas no 123695-21-6 (5-Thiazolecarboxylic acid, 2,4-diethyl-)
123695-21-6 structure
Product Name:5-Thiazolecarboxylic acid, 2,4-diethyl-
CAS No:123695-21-6
MF:C8H11NO2S
MW:185.24344086647
CID:1214792
PubChem ID:14653143
Update Time:2025-04-20
5-Thiazolecarboxylic acid, 2,4-diethyl- Chemical and Physical Properties
Names and Identifiers
-
- 5-Thiazolecarboxylic acid, 2,4-diethyl-
- 2,4-Diethyl-5-thiazolecarboxylic acid
- SCHEMBL9642917
- 2,4-diethylthiazole-5-carboxylic acid
- 123695-21-6
- VLQFBXKRCCAZPC-UHFFFAOYSA-N
- DB-422490
-
- Inchi： 1S/C8H11NO2S/c1-3-5-7(8(10)11)12-6(4-2)9-5/h3-4H2,1-2H3,(H,10,11)
- InChI Key： VLQFBXKRCCAZPC-UHFFFAOYSA-N
- SMILES： S1C(C(=O)O)=C(CC)N=C1CC
Computed Properties
- Exact Mass: 185.05113
- Monoisotopic Mass: 185.05104977g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 174
- 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: 2.5
- Topological Polar Surface Area: 78.4?2
Experimental Properties
- PSA: 50.19
5-Thiazolecarboxylic acid, 2,4-diethyl- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
123695-21-6 (5-Thiazolecarboxylic acid, 2,4-diethyl-) Related Products
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