Cas no 1289386-11-3 (4,6-DICHLORO-2-METHANESULFINYL-PYRIMIDINE)
1289386-11-3 structure
Product Name:4,6-DICHLORO-2-METHANESULFINYL-PYRIMIDINE
CAS No:1289386-11-3
MF:C5H4Cl2N2OS
MW:211.0690574646
CID:822179
PubChem ID:53385510
Update Time:2025-04-19
4,6-DICHLORO-2-METHANESULFINYL-PYRIMIDINE Chemical and Physical Properties
Names and Identifiers
-
- 4,6-DICHLORO-2-METHANESULFINYL-PYRIMIDINE
- 4,6-dichloro-2-(methylsulfinyl)Pyrimidine
- 4,6-dichloro-2-methylsulfinylpyrimidine
- AKOS015940493
- 4,6-Dichloro-2-methanesulfinylpyrimidine
- 4,6-Dichloro-2-(methanesulfinyl)pyrimidine
- SCHEMBL1123924
- DA-17241
- 1289386-11-3
- DTXSID10693745
-
- Inchi： 1S/C5H4Cl2N2OS/c1-11(10)5-8-3(6)2-4(7)9-5/h2H,1H3
- InChI Key： QFOKGYVYLLIAOS-UHFFFAOYSA-N
- SMILES： ClC1=CC(=NC(=N1)S(C)=O)Cl
Computed Properties
- Exact Mass: 209.9421393g/mol
- Monoisotopic Mass: 209.9421393g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 159
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 62.1?2
Experimental Properties
- Density: 1.68
4,6-DICHLORO-2-METHANESULFINYL-PYRIMIDINE Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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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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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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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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