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90382-11-9 | Benzothiazole, 2,2'-dithiobis[5-ethoxy-
CAS No: 90382-11-9 Catalog No: AG006QTA MDL No:
Product Description
Catalog Number:
AG006QTA
Chemical Name:
Benzothiazole, 2,2'-dithiobis[5-ethoxy-
CAS Number:
90382-11-9
Molecular Formula:
C18H16N2O2S4
Molecular Weight:
420.5918
IUPAC Name:
5-ethoxy-2-[(5-ethoxy-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
InChI:
InChI=1S/C18H16N2O2S4/c1-3-21-11-5-7-15-13(9-11)19-17(23-15)25-26-18-20-14-10-12(22-4-2)6-8-16(14)24-18/h5-10H,3-4H2,1-2H3
InChI Key:
TZLCHAIMMFAIAN-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)nc(s2)SSc1nc2c(s1)ccc(c2)OCC
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.009g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.578g/mol
Monoisotopic Mass:
420.009g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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