Cas no 87568-89-6 (2(1H)-Pyrimidinethione, 4,4'-(2,6-pyridinediyl)bis[6-ethoxy-)
87568-89-6 structure
Product Name:2(1H)-Pyrimidinethione, 4,4'-(2,6-pyridinediyl)bis[6-ethoxy-
CAS No:87568-89-6
MF:C17H17N5O2S2
MW:387.47918009758
CID:655059
PubChem ID:13185163
Update Time:2025-04-19
2(1H)-Pyrimidinethione, 4,4'-(2,6-pyridinediyl)bis[6-ethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 4-ethoxy-6-[6-(4-ethoxy-2-sulfanylidene-1H-pyrimidin-6-yl)pyridin-2-yl]-1H-pyrimidine-2-thione
- 6,6'-(Pyridine-2,6-diyl)bis(4-ethoxypyrimidine-2(1H)-thione)
- 87568-89-6
- DTXSID50525718
- 2(1H)-Pyrimidinethione, 4,4'-(2,6-pyridinediyl)bis[6-ethoxy-
-
- Inchi： 1S/C17H17N5O2S2/c1-3-23-14-8-12(19-16(25)21-14)10-6-5-7-11(18-10)13-9-15(24-4-2)22-17(26)20-13/h5-9H,3-4H2,1-2H3,(H,19,21,25)(H,20,22,26)
- InChI Key： OYIPEEBLFUPPSR-UHFFFAOYSA-N
- SMILES： S=C1N=C(C=C(C2C=CC=C(C3=CC(=NC(N3)=S)OCC)N=2)N1)OCC
Computed Properties
- Exact Mass: 387.08236715g/mol
- Monoisotopic Mass: 387.08236715g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 26
- Rotatable Bond Count: 6
- Complexity: 656
- 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: 1.6
- Topological Polar Surface Area: 144?2
2(1H)-Pyrimidinethione, 4,4'-(2,6-pyridinediyl)bis[6-ethoxy- Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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