Cas no 36998-65-9 (4-Pyrimidinecarboxamide,1,6-dihydro-2-(methylthio)-6-oxo-)
36998-65-9 structure
Product Name:4-Pyrimidinecarboxamide,1,6-dihydro-2-(methylthio)-6-oxo-
CAS No:36998-65-9
MF:C6H7N3O2S
MW:185.203679323196
CID:322629
PubChem ID:135416990
Update Time:2025-04-19
4-Pyrimidinecarboxamide,1,6-dihydro-2-(methylthio)-6-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrimidinecarboxamide,1,6-dihydro-2-(methylthio)-6-oxo-
- 2-methylsulfanyl-4-oxo-1H-pyrimidine-6-carboxamide
- 2-methylsulfanyl-6-oxo-1,6-dihydro-pyrimidine-4-carboxylic acid amide
- 2-Methylthioorotsaeureamid
- 6-Hydroxy-2-methylthiopyrimidin-4-carboxamid
- AC1L8A11
- CCG-44651
- HMS1445K19
- IDI1_016554
- Maybridge3_005167
- NSC288388
- NSC-288388
- 6-Hydroxy-2-(methylthio)pyrimidine-4-carboxamide
- AKOS006237839
- 2-methylsulfanyl-6-oxo-1H-pyrimidine-4-carboxamide
- SR-01000634472-1
- 36998-65-9
- DTXSID60314771
-
- Inchi: 1S/C6H7N3O2S/c1-12-6-8-3(5(7)11)2-4(10)9-6/h2H,1H3,(H2,7,11)(H,8,9,10)
- InChI Key: MQSSLXZDMDJZTR-UHFFFAOYSA-N
- SMILES: S(C)C1=NC(C(N)=O)=CC(N1)=O
Computed Properties
- Exact Mass: 185.02601
- Monoisotopic Mass: 185.02589765g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 295
- 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: -0.7
- Topological Polar Surface Area: 110?2
Experimental Properties
- PSA: 84.55
4-Pyrimidinecarboxamide,1,6-dihydro-2-(methylthio)-6-oxo- Related Literature
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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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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
36998-65-9 (4-Pyrimidinecarboxamide,1,6-dihydro-2-(methylthio)-6-oxo-) Related Products
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