Home Halogens Pyrimidine, 2-chloro-4-[(4-methylphenyl)thio]-

Pyrimidine, 2-chloro-4-[(4-methylphenyl)thio]-

CAS No.:
213747-65-0
Catalog Number:
AG01DTCN
Molecular Formula:
C11H9ClN2S
Molecular Weight:
236.7206
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Product Description
Catalog Number:
AG01DTCN
Chemical Name:
Pyrimidine, 2-chloro-4-[(4-methylphenyl)thio]-
CAS Number:
213747-65-0
Molecular Formula:
C11H9ClN2S
Molecular Weight:
236.7206
MDL Number:
MFCD16662240
IUPAC Name:
2-chloro-4-(4-methylphenyl)sulfanylpyrimidine
InChI:
InChI=1S/C11H9ClN2S/c1-8-2-4-9(5-3-8)15-10-6-7-13-11(12)14-10/h2-7H,1H3
InChI Key:
ZYJUNIRXYPMKRJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Sc1ccnc(n1)Cl
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.017g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.717g/mol
Monoisotopic Mass:
236.017g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties