Cas no 28860-32-4 (2(1H)-Pyrimidinone,3,4-dihydro-4-imino-6-mercapto-1,3-dimethyl-)
28860-32-4 structure
Product Name:2(1H)-Pyrimidinone,3,4-dihydro-4-imino-6-mercapto-1,3-dimethyl-
CAS No:28860-32-4
MF:C6H9N3OS
MW:171.220159292221
CID:240055
PubChem ID:12416044
Update Time:2025-04-19
2(1H)-Pyrimidinone,3,4-dihydro-4-imino-6-mercapto-1,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2(1H)-Pyrimidinone,3,4-dihydro-4-imino-6-mercapto-1,3-dimethyl-
- Uracil,6-imino-1,3-dimethyl-4-thio- (8CI)
- 4-Imino-6-mercapto-1,3-dimethyl-3,4-dihydropyrimidin-2(1H)-one
- 6-Amino-1,3-dimethyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one
- 6506-84-9
- 28860-32-4
-
- Inchi： 1S/C6H9N3OS/c1-8-4(7)3-5(11)9(2)6(8)10/h3H,7H2,1-2H3
- InChI Key： KIWONVUFMBLXSV-UHFFFAOYSA-N
- SMILES： S=C1C=C(N)N(C)C(N1C)=O
Computed Properties
- Exact Mass: 171.04677
- Monoisotopic Mass: 171.04663309g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 248
- 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: -0.5
- Topological Polar Surface Area: 81.7?2
Experimental Properties
- PSA: 47.4
2(1H)-Pyrimidinone,3,4-dihydro-4-imino-6-mercapto-1,3-dimethyl- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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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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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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