Cas no 112010-47-6 (2-(2-methylsulfanylpyrimidin-4-yl)oxyethanol)
112010-47-6 structure
Product Name:2-(2-methylsulfanylpyrimidin-4-yl)oxyethanol
CAS No:112010-47-6
MF:C7H10N2O2S
MW:186.231500148773
CID:2607834
PubChem ID:13794078
Update Time:2025-04-21
2-(2-methylsulfanylpyrimidin-4-yl)oxyethanol Chemical and Physical Properties
Names and Identifiers
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- 2-(2-methylsulfanylpyrimidin-4-yl)oxyethanol
- 112010-47-6
- DTXSID80549629
- 2-{[2-(Methylsulfanyl)pyrimidin-4-yl]oxy}ethan-1-ol
- 2-((2-(methylthio)pyrimidin-4-yl)oxy)ethanol
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- Inchi： 1S/C7H10N2O2S/c1-12-7-8-3-2-6(9-7)11-5-4-10/h2-3,10H,4-5H2,1H3
- InChI Key： MOBBZOHXIRXGBH-UHFFFAOYSA-N
- SMILES： S(C)C1=NC=CC(=N1)OCCO
Computed Properties
- Exact Mass: 186.04629874Da
- Monoisotopic Mass: 186.04629874Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 126
- 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: 80.5?2
2-(2-methylsulfanylpyrimidin-4-yl)oxyethanol Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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