Cas no 100478-30-6 (4,6-bis(difluoromethoxy)-2-ethylsulfanylpyrimidine)
100478-30-6 structure
Product Name:4,6-bis(difluoromethoxy)-2-ethylsulfanylpyrimidine
CAS No:100478-30-6
MF:C8H8F4N2O2S
MW:272.219934463501
CID:1126873
PubChem ID:13491831
Update Time:2025-04-20
4,6-bis(difluoromethoxy)-2-ethylsulfanylpyrimidine Chemical and Physical Properties
Names and Identifiers
-
- 4,6-bis(difluoromethoxy)-2-ethylsulfanylpyrimidine
- DTXSID50542107
- Pyrimidine, 4,6-bis(difluoromethoxy)-2-(ethylthio)-
- 4,6-Bis(difluoromethoxy)-2-(ethylsulfanyl)pyrimidine
- 100478-30-6
-
- Inchi： 1S/C8H8F4N2O2S/c1-2-17-8-13-4(15-6(9)10)3-5(14-8)16-7(11)12/h3,6-7H,2H2,1H3
- InChI Key： GMPVRSRTFJWIHC-UHFFFAOYSA-N
- SMILES： S(C1N=C(C=C(N=1)OC(F)F)OC(F)F)CC
Computed Properties
- Exact Mass: 272.02434
- Monoisotopic Mass: 272.02426132g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 208
- 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: 3.9
- Topological Polar Surface Area: 69.5?2
Experimental Properties
- PSA: 44.24
4,6-bis(difluoromethoxy)-2-ethylsulfanylpyrimidine Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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