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89012-18-0

89012-18-0 | 2H-Thiazolo[3,2-a]-1,3,5-triazine-2-thione, 6-(4-chlorophenyl)-4-phenyl-

CAS No: 89012-18-0 Catalog No: AG0044E3 MDL No:

Product Description

Catalog Number:
AG0044E3
Chemical Name:
2H-Thiazolo[3,2-a]-1,3,5-triazine-2-thione, 6-(4-chlorophenyl)-4-phenyl-
CAS Number:
89012-18-0
Molecular Formula:
C17H10ClN3S2
Molecular Weight:
355.8644
IUPAC Name:
6-(4-chlorophenyl)-4-phenyl-[1,3]thiazolo[3,2-a][1,3,5]triazine-2-thione
InChI:
InChI=1S/C17H10ClN3S2/c18-13-8-6-11(7-9-13)14-10-23-17-20-16(22)19-15(21(14)17)12-4-2-1-3-5-12/h1-10H
InChI Key:
WUGCQATVCMAJQJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1csc2n1c(nc(=S)n2)c1ccccc1

Properties

Complexity:
585  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.858g/mol
Monoisotopic Mass:
355g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  

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