Cas no 15584-03-9 (4-Pyrimidinecarboxylicacid, 6-methoxy-2-(methylthio)-)
15584-03-9 structure
Product Name:4-Pyrimidinecarboxylicacid, 6-methoxy-2-(methylthio)-
CAS No:15584-03-9
MF:C7H8N2O3S
MW:200.215020179749
CID:228099
PubChem ID:240907
Update Time:2025-04-19
4-Pyrimidinecarboxylicacid, 6-methoxy-2-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrimidinecarboxylicacid, 6-methoxy-2-(methylthio)-
- 6-methoxy-2-methylsulfanyl-pyrimidine-4-carboxylic acid
- 6-methoxy-2-methylsulfanylpyrimidine-4-carboxylic acid
- 6-methoxy-2-(methylsulfanyl)pyrimidine-4-carboxylic acid
- 6-Methoxy-2-methylmercapto-pyrimidin-carbonsaeure-(4)
- AC1L667M
- AC1Q5UE7
- AG-K-80546
- AR-1H1981
- CTK0I2873
- NSC47800
- 6-Methoxy-2-(methylthio)pyrimidine-4-carboxylic acid
- NSC-47800
- DTXSID50286812
- 15584-03-9
-
- Inchi： 1S/C7H8N2O3S/c1-12-5-3-4(6(10)11)8-7(9-5)13-2/h3H,1-2H3,(H,10,11)
- InChI Key： GYVNDEWERGAJHW-UHFFFAOYSA-N
- SMILES： S(C)C1=NC(=CC(C(=O)O)=N1)OC
Computed Properties
- Exact Mass: 200.02564
- Monoisotopic Mass: 200.026
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 191
- 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: 1.2
- Topological Polar Surface Area: 97.6?2
Experimental Properties
- Density: 1.43
- Boiling Point: 411°Cat760mmHg
- Flash Point: 202.3°C
- Refractive Index: 1.599
- PSA: 72.31
- LogP: 0.90530
4-Pyrimidinecarboxylicacid, 6-methoxy-2-(methylthio)- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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3. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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