Cas no 94159-30-5 (2-(4-Methylthiazol-5-yl)ethyl valerate)
94159-30-5 structure
Product Name:2-(4-Methylthiazol-5-yl)ethyl valerate
CAS No:94159-30-5
MF:C11H17NO2S
MW:227.323181867599
CID:817833
PubChem ID:3023837
Update Time:2025-04-19
2-(4-Methylthiazol-5-yl)ethyl valerate Chemical and Physical Properties
Names and Identifiers
-
- 2-(4-Methylthiazol-5-yl)ethyl valerate
- 2-(4-methyl-1,3-thiazol-5-yl)ethyl pentanoate
- 94159-30-5
- DTXSID80240861
- HP7RFM9HGB
- UNII-HP7RFM9HGB
- EINECS 303-208-2
- NS00040182
- PENTANOIC ACID, 2-(4-METHYL-5-THIAZOLYL)ETHYL ESTER
- AKOS017182348
-
- Inchi： 1S/C11H17NO2S/c1-3-4-5-11(13)14-7-6-10-9(2)12-8-15-10/h8H,3-7H2,1-2H3
- InChI Key： YCFURYOJKUTCOJ-UHFFFAOYSA-N
- SMILES： S1C=NC(C)=C1CCOC(CCCC)=O
Computed Properties
- Exact Mass: 227.098
- Monoisotopic Mass: 227.098
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 199
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 67.4?2
Experimental Properties
- Density: 1.096
- Boiling Point: 322.7°Cat760mmHg
- Flash Point: 148.9°C
- Refractive Index: 1.51
2-(4-Methylthiazol-5-yl)ethyl valerate Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
94159-30-5 (2-(4-Methylthiazol-5-yl)ethyl valerate) Related Products
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