Cas no 149771-14-2 (4-Isopropyl-2-(methylthio)pyrimidine-5-carboxylic acid)
149771-14-2 structure
Product Name:4-Isopropyl-2-(methylthio)pyrimidine-5-carboxylic acid
CAS No:149771-14-2
MF:C9H12N2O2S
MW:212.268780708313
CID:2144052
Update Time:2023-08-04
4-Isopropyl-2-(methylthio)pyrimidine-5-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 4-isopropyl-2-(methylthio)pyrimidine-5-carboxylic acid
- QEIFALZZBOVNED-UHFFFAOYSA-N
- 5-Pyrimidinecarboxylicacid,4-(1-methylethyl)-2-(methylthio)-
- 2-(Methylthio)-4-(1-methylethyl)pyrimidine-5-carboxylic acid
- 5-Pyrimidinecarboxylic acid, 4-(1-methylethyl)-2-(methylthio)-
- 4-Isopropyl-2-(methylthio)pyrimidine-5-carboxylic acid
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- Inchi： 1S/C9H12N2O2S/c1-5(2)7-6(8(12)13)4-10-9(11-7)14-3/h4-5H,1-3H3,(H,12,13)
- InChI Key： QEIFALZZBOVNED-UHFFFAOYSA-N
- SMILES： S(C)C1=NC=C(C(=O)O)C(C(C)C)=N1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 211
- Topological Polar Surface Area: 88.4
4-Isopropyl-2-(methylthio)pyrimidine-5-carboxylic acid Related Literature
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1. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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