Cas no 211942-99-3 (2-Thiazolecarboxaldehyde,5-methyl-4-(1-methylethyl)-)
211942-99-3 structure
Product Name:2-Thiazolecarboxaldehyde,5-methyl-4-(1-methylethyl)-
CAS No:211942-99-3
MF:C8H11NOS
MW:169.244040727615
CID:242436
Update Time:2024-01-26
2-Thiazolecarboxaldehyde,5-methyl-4-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
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- 2-Thiazolecarboxaldehyde,5-methyl-4-(1-methylethyl)-
- 4-Isopropyl-5-methylthiazole-2-carbaldehyde
- 2-Thiazolecarboxaldehyde,5-methyl-4-(1-methylethyl)-(9CI)
- 2-Thiazolecarboxaldehyde, 5-methyl-4-(1-methylethyl)-
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- Inchi： 1S/C8H11NOS/c1-5(2)8-6(3)11-7(4-10)9-8/h4-5H,1-3H3
- InChI Key： YDZONSMCMXRDKD-UHFFFAOYSA-N
- SMILES： S1C(C)=C(C(C)C)N=C1C=O
Computed Properties
- Exact Mass: 169.05623
- Monoisotopic Mass: 169.056
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 149
- 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: 58.2A^2
Experimental Properties
- Density: 1.127±0.06 g/cm3(Predicted)
- Boiling Point: 267.0±43.0 °C(Predicted)
- PSA: 29.96
- pka: 1.57±0.10(Predicted)
2-Thiazolecarboxaldehyde,5-methyl-4-(1-methylethyl)- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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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