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21542-41-6 | Benzothiazole, 2-[[phenyl(phenylhydrazono)methyl]azo]-
CAS No: 21542-41-6 Catalog No: AG0070X3 MDL No:
Product Description
Catalog Number:
AG0070X3
Chemical Name:
Benzothiazole, 2-[[phenyl(phenylhydrazono)methyl]azo]-
CAS Number:
21542-41-6
Molecular Formula:
C20H15N5S
Molecular Weight:
357.4316
IUPAC Name:
N'-anilino-N-(1,3-benzothiazol-2-ylimino)benzenecarboximidamide
InChI:
InChI=1S/C20H15N5S/c1-3-9-15(10-4-1)19(23-22-16-11-5-2-6-12-16)24-25-20-21-17-13-7-8-14-18(17)26-20/h1-14,22H
InChI Key:
OPOMTHCDFJEKJO-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)NN=C(c1ccccc1)N=Nc1nc2c(s1)cccc2
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.105g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.435g/mol
Monoisotopic Mass:
357.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.5
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