Cas no 111183-97-2 (Pyrimidine,4-(ethenyloxy)-2-(methylthio)-)
111183-97-2 structure
Product Name:Pyrimidine,4-(ethenyloxy)-2-(methylthio)-
CAS No:111183-97-2
MF:C7H8N2OS
MW:168.216219902039
CID:129146
PubChem ID:13626310
Update Time:2025-04-18
Pyrimidine,4-(ethenyloxy)-2-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine,4-(ethenyloxy)-2-(methylthio)-
- Pyrimidine, 4-(ethenyloxy)-2-(methylthio)- (9CI)
- 2-methylthio-4-vinyloxypyrimidine
- 111183-97-2
- 2-(Methylthio)-4-(vinyloxy)pyrimidine
- 4-ethenoxy-2-methylsulfanylpyrimidine
-
- Inchi： 1S/C7H8N2OS/c1-3-10-6-4-5-8-7(9-6)11-2/h3-5H,1H2,2H3
- InChI Key： YLBAMPOHQHEZHY-UHFFFAOYSA-N
- SMILES： S(C)C1=NC=CC(=N1)OC=C
Computed Properties
- Exact Mass: 168.03584
- Monoisotopic Mass: 168.03573406g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 132
- 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: 1.8
- Topological Polar Surface Area: 60.3?2
Experimental Properties
- PSA: 35.01
Pyrimidine,4-(ethenyloxy)-2-(methylthio)- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
111183-97-2 (Pyrimidine,4-(ethenyloxy)-2-(methylthio)-) Related Products
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