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88300-12-3 | 1,2,4-Triazine-3(2H)-thione, 5,6-bis(4-chlorophenyl)-
CAS No: 88300-12-3 Catalog No: AG0049NB MDL No:
Product Description
Catalog Number:
AG0049NB
Chemical Name:
1,2,4-Triazine-3(2H)-thione, 5,6-bis(4-chlorophenyl)-
CAS Number:
88300-12-3
Molecular Formula:
C15H9Cl2N3S
Molecular Weight:
334.2231
IUPAC Name:
5,6-bis(4-chlorophenyl)-2H-1,2,4-triazine-3-thione
InChI:
InChI=1S/C15H9Cl2N3S/c16-11-5-1-9(2-6-11)13-14(19-20-15(21)18-13)10-3-7-12(17)8-4-10/h1-8H,(H,18,20,21)
InChI Key:
LKNWZOVLHNNXIK-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1nc(=S)[nH]nc1c1ccc(cc1)Cl
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.989g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.218g/mol
Monoisotopic Mass:
332.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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