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47585-25-1 | 3,3'-(Decamethylene)bis(benzothiazole-3-ium)
CAS No: 47585-25-1 Catalog No: AG00DRYM MDL No:
Product Description
Catalog Number:
AG00DRYM
Chemical Name:
3,3'-(Decamethylene)bis(benzothiazole-3-ium)
CAS Number:
47585-25-1
IUPAC Name:
3-[10-(1,3-benzothiazol-3-ium-3-yl)decyl]-1,3-benzothiazol-3-ium
InChI:
InChI=1S/C24H30N2S2/c1(3-5-11-17-25-19-27-23-15-9-7-13-21(23)25)2-4-6-12-18-26-20-28-24-16-10-8-14-22(24)26/h7-10,13-16,19-20H,1-6,11-12,17-18H2/q+2
InChI Key:
VPLCKHNJIPEEKV-UHFFFAOYSA-N
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.185g/mol
Formal Charge:
2
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.638g/mol
Monoisotopic Mass:
410.185g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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