Cas no 159585-13-4 (Pyrimidine, 4-chloro-6-(3-methoxyphenyl)-2-(methylthio)-)
159585-13-4 structure
Product Name:Pyrimidine, 4-chloro-6-(3-methoxyphenyl)-2-(methylthio)-
CAS No:159585-13-4
MF:C12H11ClN2OS
MW:266.746540307999
CID:1338790
PubChem ID:10934430
Update Time:2025-04-20
Pyrimidine, 4-chloro-6-(3-methoxyphenyl)-2-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 4-chloro-6-(3-methoxyphenyl)-2-(methylthio)-
- 4-chloro-6-(3-methoxyphenyl)-2-(methylthio)Pyrimidine
- 4-chloro-6-(3-methoxyphenyl)-2-methylsulfanylpyrimidine
- 3-[6-chloro-2-(methylsulfanyl)-4-pyrimidinyl]phenyl methyl ether
- DA-39595
- AKOS015917106
- 159585-13-4
- 4-chloro-6-(3-methoxy-phenyl)-2-methylsulfanyl-pyrimidine
- DTXSID20448940
- SCHEMBL4508819
-
- Inchi： 1S/C12H11ClN2OS/c1-16-9-5-3-4-8(6-9)10-7-11(13)15-12(14-10)17-2/h3-7H,1-2H3
- InChI Key： IRKBUAKIWSJZED-UHFFFAOYSA-N
- SMILES： ClC1=CC(C2C=CC=C(C=2)OC)=NC(=N1)SC
Computed Properties
- Exact Mass: 266.02823
- Monoisotopic Mass: 266.0280618g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 245
- 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: 60.3?2
Experimental Properties
- PSA: 35.01
Pyrimidine, 4-chloro-6-(3-methoxyphenyl)-2-(methylthio)- Related Literature
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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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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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
159585-13-4 (Pyrimidine, 4-chloro-6-(3-methoxyphenyl)-2-(methylthio)-) Related Products
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