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89012-15-7

89012-15-7 | 2H-Thiazolo[3,2-a]-1,3,5-triazine-2-thione, 4,6-diphenyl-

CAS No: 89012-15-7 Catalog No: AG0042UQ MDL No:

Product Description

Catalog Number:
AG0042UQ
Chemical Name:
2H-Thiazolo[3,2-a]-1,3,5-triazine-2-thione, 4,6-diphenyl-
CAS Number:
89012-15-7
Molecular Formula:
C17H11N3S2
Molecular Weight:
321.4193
IUPAC Name:
4,6-diphenyl-[1,3]thiazolo[3,2-a][1,3,5]triazine-2-thione
InChI:
InChI=1S/C17H11N3S2/c21-16-18-15(13-9-5-2-6-10-13)20-14(11-22-17(20)19-16)12-7-3-1-4-8-12/h1-11H
InChI Key:
YYNAHSHGUHIWFC-UHFFFAOYSA-N
SMILES:
S=c1nc2scc(n2c(n1)c1ccccc1)c1ccccc1

Properties

Complexity:
552  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.039g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.416g/mol
Monoisotopic Mass:
321.039g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

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