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97479-99-7 | Benzothiazole, 2,2'-dithiobis[5-methoxy-
CAS No: 97479-99-7 Catalog No: AG005ZCJ MDL No:
Product Description
Catalog Number:
AG005ZCJ
Chemical Name:
Benzothiazole, 2,2'-dithiobis[5-methoxy-
CAS Number:
97479-99-7
Molecular Formula:
C16H12N2O2S4
Molecular Weight:
392.5387
IUPAC Name:
5-methoxy-2-[(5-methoxy-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
InChI:
InChI=1S/C16H12N2O2S4/c1-19-9-3-5-13-11(7-9)17-15(21-13)23-24-16-18-12-8-10(20-2)4-6-14(12)22-16/h3-8H,1-2H3
InChI Key:
QSOHSUYZXBNXBQ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc(s2)SSc1nc2c(s1)ccc(c2)OC
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.978g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.524g/mol
Monoisotopic Mass:
391.978g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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