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192704-35-1 | Benzothiazole, 2-(octyldithio)-
CAS No: 192704-35-1 Catalog No: AG002G8A MDL No:
Product Description
Catalog Number:
AG002G8A
Chemical Name:
Benzothiazole, 2-(octyldithio)-
CAS Number:
192704-35-1
Molecular Formula:
C15H21NS3
Molecular Weight:
311.5289
IUPAC Name:
2-(octyldisulfanyl)-1,3-benzothiazole
InChI:
InChI=1S/C15H21NS3/c1-2-3-4-5-6-9-12-17-19-15-16-13-10-7-8-11-14(13)18-15/h7-8,10-11H,2-6,9,12H2,1H3
InChI Key:
CYXWNSBYVBWROX-UHFFFAOYSA-N
SMILES:
CCCCCCCCSSc1nc2c(s1)cccc2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.52g/mol
Monoisotopic Mass:
311.084g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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