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81524-68-7 | 2H-Tetrazolium, 2,5-diphenyl-3-(2-thiazolyl)-, chloride
CAS No: 81524-68-7 Catalog No: AG005K7S MDL No:
Product Description
Catalog Number:
AG005K7S
Chemical Name:
2H-Tetrazolium, 2,5-diphenyl-3-(2-thiazolyl)-, chloride
CAS Number:
81524-68-7
Molecular Formula:
C16H14ClN5S
Molecular Weight:
343.8339
IUPAC Name:
2-(2,5-diphenyl-1H-tetrazol-1-ium-3-yl)-1,3-thiazole;chloride
InChI:
InChI=1S/C16H13N5S.ClH/c1-3-7-13(8-4-1)15-18-20(14-9-5-2-6-10-14)21(19-15)16-17-11-12-22-16;/h1-12H,(H,18,19);1H
InChI Key:
HRQGDCKSAUFIOG-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=NN(N([NH2+]1)c1ccccc1)c1nccs1.[Cl-]
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.066g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.833g/mol
Monoisotopic Mass:
343.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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