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93963-17-8 | 2,2'-[PIPERAZINE-1,4-DIYLBIS(THIO)]BISBENZO[D]THIAZOLE
CAS No: 93963-17-8 Catalog No: AG006AN6 MDL No:
Product Description
Catalog Number:
AG006AN6
Chemical Name:
2,2'-[PIPERAZINE-1,4-DIYLBIS(THIO)]BISBENZO[D]THIAZOLE
CAS Number:
93963-17-8
Molecular Formula:
C18H16N4S4
Molecular Weight:
416.6064
IUPAC Name:
2-[4-(1,3-benzothiazol-2-ylsulfanyl)piperazin-1-yl]sulfanyl-1,3-benzothiazole
InChI:
InChI=1S/C18H16N4S4/c1-3-7-15-13(5-1)19-17(23-15)25-21-9-11-22(12-10-21)26-18-20-14-6-2-4-8-16(14)24-18/h1-8H,9-12H2
InChI Key:
ZPRKIYGGPADCPK-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)sc(n2)SN1CCN(CC1)Sc1nc2c(s1)cccc2
EC Number:
300-758-5
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.026g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.594g/mol
Monoisotopic Mass:
416.026g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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