Cas no 85730-39-8 ( )
structure
Product Name:
CAS No:85730-39-8
MF:C6H3Cl2F3N2S
MW:263.067628145218
CID:990982
PubChem ID:332713
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- 4,5-dichloro-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
- 85730-39-8
- SCHEMBL21020610
- SPXQHAXDCYYVFX-UHFFFAOYSA-N
- NSC-331273
- NSC331273
- DTXSID90318464
- 4,5-Dichloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine
- DS-005136
-
-
- Inchi： 1S/C6H3Cl2F3N2S/c1-14-5-12-3(6(9,10)11)2(7)4(8)13-5/h1H3
- InChI Key： SPXQHAXDCYYVFX-UHFFFAOYSA-N
- SMILES： ClC1=C(N=C(N=C1C(F)(F)F)SC)Cl
Computed Properties
- Exact Mass: 261.9346092g/mol
- Monoisotopic Mass: 261.9346092g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 204
- 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: 3.6
- Topological Polar Surface Area: 51.1?2
Related Literature
-
M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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