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142047-20-9 | 2H-Tetrazolium, 2-(4,5-diphenyl-2-thiazolyl)-3-phenyl-5-(2-thienyl)-
CAS No: 142047-20-9 Catalog No: AG001HMN MDL No:
Product Description
Catalog Number:
AG001HMN
Chemical Name:
2H-Tetrazolium, 2-(4,5-diphenyl-2-thiazolyl)-3-phenyl-5-(2-thienyl)-
CAS Number:
142047-20-9
Molecular Formula:
C26H20N5S2+
Molecular Weight:
466.6005
IUPAC Name:
4,5-diphenyl-2-(3-phenyl-5-thiophen-2-yl-1H-tetrazol-1-ium-2-yl)-1,3-thiazole
InChI:
InChI=1S/C26H19N5S2/c1-4-11-19(12-5-1)23-24(20-13-6-2-7-14-20)33-26(27-23)31-29-25(22-17-10-18-32-22)28-30(31)21-15-8-3-9-16-21/h1-18H,(H,28,29)/p+1
InChI Key:
XWXBKYOUZLYGCT-UHFFFAOYSA-O
SMILES:
c1ccc(cc1)c1sc(nc1c1ccccc1)N1[NH2+]C(=NN1c1ccccc1)c1cccs1
Properties
Complexity:
672
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.116g/mol
Formal Charge:
1
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
466.601g/mol
Monoisotopic Mass:
466.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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