Cas no 49785-67-3 (1,3-dimethyl-4-sulfanylidene-pyrimidin-2-one)
49785-67-3 structure
Product Name:1,3-dimethyl-4-sulfanylidene-pyrimidin-2-one
CAS No:49785-67-3
MF:C6H8N2OS
MW:156.205519676208
CID:854336
PubChem ID:193842
Update Time:2025-04-19
1,3-dimethyl-4-sulfanylidene-pyrimidin-2-one Chemical and Physical Properties
Names and Identifiers
-
- 1,3-dimethyl-4-sulfanylidene-pyrimidin-2-one
- 1,3-dimethyl-4-sulfanylidenepyrimidin-2-one
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- Inchi： 1S/C6H8N2OS/c1-7-4-3-5(10)8(2)6(7)9/h3-4H,1-2H3
- InChI Key： PMKLUUOSOUESOS-UHFFFAOYSA-N
- SMILES： S=C1C=CN(C)C(N1C)=O
Computed Properties
- Exact Mass: 156.03573406g/mol
- Monoisotopic Mass: 156.03573406g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 212
- 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: 0.1
- Topological Polar Surface Area: 55.6?2
1,3-dimethyl-4-sulfanylidene-pyrimidin-2-one Related Literature
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
49785-67-3 (1,3-dimethyl-4-sulfanylidene-pyrimidin-2-one) Related Products
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