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80745-82-0 | Benzothiazole, 2,2'-dithiobis[4-methyl-
CAS No: 80745-82-0 Catalog No: AG0051FS MDL No:
Product Description
Catalog Number:
AG0051FS
Chemical Name:
Benzothiazole, 2,2'-dithiobis[4-methyl-
CAS Number:
80745-82-0
Molecular Formula:
C16H12N2S4
Molecular Weight:
360.5399
IUPAC Name:
4-methyl-2-[(4-methyl-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
InChI:
InChI=1S/C16H12N2S4/c1-9-5-3-7-11-13(9)17-15(19-11)21-22-16-18-14-10(2)6-4-8-12(14)20-16/h3-8H,1-2H3
InChI Key:
SSQNKTBATJCFLF-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1nc(s2)SSc1sc2c(n1)c(C)ccc2
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.988g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.526g/mol
Monoisotopic Mass:
359.988g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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