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917808-21-0

917808-21-0 | Pyrimidine, 4-[4-(3-methylphenyl)-5-thiazolyl]-2-(methylthio)-

CAS No: 917808-21-0 Catalog No: AG006CBE MDL No:

Product Description

Catalog Number:
AG006CBE
Chemical Name:
Pyrimidine, 4-[4-(3-methylphenyl)-5-thiazolyl]-2-(methylthio)-
CAS Number:
917808-21-0
Molecular Formula:
C15H13N3S2
Molecular Weight:
299.4138
IUPAC Name:
4-(3-methylphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole
InChI:
InChI=1S/C15H13N3S2/c1-10-4-3-5-11(8-10)13-14(20-9-17-13)12-6-7-16-15(18-12)19-2/h3-9H,1-2H3
InChI Key:
WNJXKSUGYSACDA-UHFFFAOYSA-N
SMILES:
CSc1nccc(n1)c1scnc1c1cccc(c1)C

Properties

Complexity:
316  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.055g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.41g/mol
Monoisotopic Mass:
299.055g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  

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