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13146-93-5

13146-93-5 | 2H-Tetrazolium, 2-(4,5-dimethyl-2-thiazolyl)-3,5-diphenyl-

CAS No: 13146-93-5 Catalog No: AG000W8S MDL No:

Product Description

Catalog Number:
AG000W8S
Chemical Name:
2H-Tetrazolium, 2-(4,5-dimethyl-2-thiazolyl)-3,5-diphenyl-
CAS Number:
13146-93-5
Molecular Formula:
C18H18N5S+
Molecular Weight:
336.4340
IUPAC Name:
2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-dimethyl-1,3-thiazole
InChI:
InChI=1S/C18H16N5S/c1-13-14(2)24-18(19-13)23-21-17(15-9-5-3-6-10-15)20-22(23)16-11-7-4-8-12-16/h3-12H,1-2H3/q+1
InChI Key:
FTZIQBGFCYJWKA-UHFFFAOYSA-N
SMILES:
Cc1sc(nc1C)N1[NH2+]C(=NN1c1ccccc1)c1ccccc1
UNII:
010O4LC9TS

Properties

Complexity:
410  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.113g/mol
Formal Charge:
1  
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.421g/mol
Monoisotopic Mass:
334.113g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5  

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