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68869-51-2 | s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-iodophenyl)-
CAS No: 68869-51-2 Catalog No: AG00G0M6 MDL No:
Product Description
Catalog Number:
AG00G0M6
Chemical Name:
s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-iodophenyl)-
CAS Number:
68869-51-2
IUPAC Name:
4-(4-iodophenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C21H16IN3OS/c22-17-8-10-18(11-9-17)25-20(23-24-21(25)27)14-26-19-12-6-16(7-13-19)15-4-2-1-3-5-15/h1-13H,14H2,(H,24,27)
InChI Key:
AGLPBFNEXCXWBE-UHFFFAOYSA-N
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
485.006g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
485.343g/mol
Monoisotopic Mass:
485.006g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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