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223586-82-1 | 1,2-BENZISOTHIAZOLE, 3,3'-(1,4-PIPERAZINEDIYL)BIS-
CAS No: 223586-82-1 Catalog No: AG006YQ3 MDL No:
Product Description
Catalog Number:
AG006YQ3
Chemical Name:
1,2-BENZISOTHIAZOLE, 3,3'-(1,4-PIPERAZINEDIYL)BIS-
CAS Number:
223586-82-1
Molecular Formula:
C18H16N4S2
Molecular Weight:
352.4764
IUPAC Name:
3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1,2-benzothiazole
InChI:
InChI=1S/C18H16N4S2/c1-3-7-15-13(5-1)17(19-23-15)21-9-11-22(12-10-21)18-14-6-2-4-8-16(14)24-20-18/h1-8H,9-12H2
InChI Key:
UGYNLCWENVIDFA-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c(ns2)N1CCN(CC1)c1nsc2c1cccc2
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.082g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.474g/mol
Monoisotopic Mass:
352.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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