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917747-81-0 | 5-(2-Bromo-phenyl)-4-p-tolyl-4H-[1,2,4]triazole-3-thiol
CAS No: 917747-81-0 Catalog No: AG01EZ5V MDL No:
Product Description
Catalog Number:
AG01EZ5V
Chemical Name:
5-(2-Bromo-phenyl)-4-p-tolyl-4H-[1,2,4]triazole-3-thiol
CAS Number:
917747-81-0
Molecular Formula:
C15H12BrN3S
Molecular Weight:
346.2449
IUPAC Name:
3-(2-bromophenyl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C15H12BrN3S/c1-10-6-8-11(9-7-10)19-14(17-18-15(19)20)12-4-2-3-5-13(12)16/h2-9H,1H3,(H,18,20)
InChI Key:
FWRHKYLXARWQIA-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1c(S)nnc1c1ccccc1Br
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.994g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.246g/mol
Monoisotopic Mass:
344.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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