Cas no 461678-01-3 (4,6-Dichloro-2-(methylsulfanyl)-5-(2,4,6-trifluorophenyl)pyrimidine)
461678-01-3 structure
Product Name:4,6-Dichloro-2-(methylsulfanyl)-5-(2,4,6-trifluorophenyl)pyrimidine
CAS No:461678-01-3
MF:C11H5Cl2F3N2S
MW:325.137009382248
CID:2828216
PubChem ID:71362972
Update Time:2025-04-21
4,6-Dichloro-2-(methylsulfanyl)-5-(2,4,6-trifluorophenyl)pyrimidine Chemical and Physical Properties
Names and Identifiers
-
- CKGLWAYNKJDSNO-UHFFFAOYSA-N
- 4,6-Dichloro-2-(methylsulfanyl)-5-(2,4,6-trifluorophenyl)pyrimidine
- DTXSID90786568
- 4,6-dichloro-2-methylthio-5-(2,4,6-trifluorophenyl)pyrimidine
- SCHEMBL2831581
- 461678-01-3
-
- Inchi： 1S/C11H5Cl2F3N2S/c1-19-11-17-9(12)8(10(13)18-11)7-5(15)2-4(14)3-6(7)16/h2-3H,1H3
- InChI Key： CKGLWAYNKJDSNO-UHFFFAOYSA-N
- SMILES： ClC1C(=C(N=C(N=1)SC)Cl)C1C(=CC(=CC=1F)F)F
Computed Properties
- Exact Mass: 323.9502592Da
- Monoisotopic Mass: 323.9502592Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 292
- 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: 4.9
- Topological Polar Surface Area: 51.1?2
4,6-Dichloro-2-(methylsulfanyl)-5-(2,4,6-trifluorophenyl)pyrimidine Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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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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