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Home Halogens 5-Pyrimidinecarbonitrile, 4-chloro-6-(4-methylphenyl)-2-(methylthio)-

5-Pyrimidinecarbonitrile, 4-chloro-6-(4-methylphenyl)-2-(methylthio)-

CAS No.:
128640-74-4
Catalog Number:
AG000Y9V
Molecular Formula:
C13H10ClN3S
Molecular Weight:
275.7566
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Product Description
Catalog Number:
AG000Y9V
Chemical Name:
5-Pyrimidinecarbonitrile, 4-chloro-6-(4-methylphenyl)-2-(methylthio)-
CAS Number:
128640-74-4
Molecular Formula:
C13H10ClN3S
Molecular Weight:
275.7566
MDL Number:
MFCD00975766
IUPAC Name:
4-chloro-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile
InChI:
InChI=1S/C13H10ClN3S/c1-8-3-5-9(6-4-8)11-10(7-15)12(14)17-13(16-11)18-2/h3-6H,1-2H3
InChI Key:
ASPBFSRVAPVCDU-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)nc(nc1c1ccc(cc1)C)SC
Properties
Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.028g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.754g/mol
Monoisotopic Mass:
275.028g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties