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84713-38-2 | Benzothiazole, 6-((p-piperidinophenyl)azo)-
CAS No: 84713-38-2 Catalog No: AG004YO0 MDL No:
Product Description
Catalog Number:
AG004YO0
Chemical Name:
Benzothiazole, 6-((p-piperidinophenyl)azo)-
CAS Number:
84713-38-2
Molecular Formula:
C18H18N4S
Molecular Weight:
322.4273
IUPAC Name:
1,3-benzothiazol-6-yl-(4-piperidin-1-ylphenyl)diazene
InChI:
InChI=1S/C18H18N4S/c1-2-10-22(11-3-1)16-7-4-14(5-8-16)20-21-15-6-9-17-18(12-15)23-13-19-17/h4-9,12-13H,1-3,10-11H2
InChI Key:
JJHFCAQYAWOWNC-UHFFFAOYSA-N
SMILES:
C1CCN(CC1)c1ccc(cc1)N=Nc1ccc2c(c1)scn2
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.125g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.43g/mol
Monoisotopic Mass:
322.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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