Cas no 115553-92-9 (2-Thiazolecarboxylicacid, 4-butyl-)
115553-92-9 structure
Product Name:2-Thiazolecarboxylicacid, 4-butyl-
CAS No:115553-92-9
MF:C8H11NO2S
MW:185.24344086647
CID:130803
PubChem ID:14050080
Update Time:2025-04-19
2-Thiazolecarboxylicacid, 4-butyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiazolecarboxylicacid, 4-butyl-
- 4-Butyl-1,3-thiazole-2-carboxylic acid
- 4-BUTYL-2-THIAZOLECARBOXYLIC ACID
- 4-Butylthiazole-2-carboxylicacid
- ACMC-20c3r2
- AG-D-36615
- AGN-PC-00093X
- CTK0H2999
- 115553-92-9
- AKOS006229140
- 2-Thiazolecarboxylic acid, 4-butyl-
- DTXSID40555089
- 4-Butylthiazole-2-carboxylic acid
- 2-Thiazolecarboxylic acid,4-butyl-
-
- Inchi： 1S/C8H11NO2S/c1-2-3-4-6-5-12-7(9-6)8(10)11/h5H,2-4H2,1H3,(H,10,11)
- InChI Key： ZFIWKJHKLOTFNV-UHFFFAOYSA-N
- SMILES： S1C(C(=O)O)=NC(=C1)CCCC
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: 4
- Complexity: 163
- 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
2-Thiazolecarboxylicacid, 4-butyl- Related Literature
-
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
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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