Cas no 6701-20-8 (PYRIMIDINE, 4-CHLORO-5-FLUORO-6-METHYL-2-(METHYLTHIO)-)
6701-20-8 structure
Product Name:PYRIMIDINE, 4-CHLORO-5-FLUORO-6-METHYL-2-(METHYLTHIO)-
CAS No:6701-20-8
MF:C6H6ClFN2S
MW:192.641642093658
CID:3522714
PubChem ID:84039655
Update Time:2025-04-21
PYRIMIDINE, 4-CHLORO-5-FLUORO-6-METHYL-2-(METHYLTHIO)- Chemical and Physical Properties
Names and Identifiers
-
- PYRIMIDINE, 4-CHLORO-5-FLUORO-6-METHYL-2-(METHYLTHIO)-
- 6701-20-8
- 4-Chloro-5-fluoro-6-methyl-2-(methylthio)pyrimidine
-
- Inchi： 1S/C6H6ClFN2S/c1-3-4(8)5(7)10-6(9-3)11-2/h1-2H3
- InChI Key： RBOVQISYSHFNTA-UHFFFAOYSA-N
- SMILES： ClC1=C(C(C)=NC(=N1)SC)F
Computed Properties
- Exact Mass: 191.9924252Da
- Monoisotopic Mass: 191.9924252Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 138
- 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: 2.5
- Topological Polar Surface Area: 51.1?2
PYRIMIDINE, 4-CHLORO-5-FLUORO-6-METHYL-2-(METHYLTHIO)- Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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