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145025-50-9 | 1,3,2-Benzodithiazole, 2-(phenylmethyl)-, 1-oxide
CAS No: 145025-50-9 Catalog No: AG001KH9 MDL No:
Product Description
Catalog Number:
AG001KH9
Chemical Name:
1,3,2-Benzodithiazole, 2-(phenylmethyl)-, 1-oxide
CAS Number:
145025-50-9
Molecular Formula:
C13H11NOS2
Molecular Weight:
261.3625
IUPAC Name:
2-benzyl-1λ4,3,2-benzodithiazole 1-oxide
InChI:
InChI=1S/C13H11NOS2/c15-17-13-9-5-4-8-12(13)16-14(17)10-11-6-2-1-3-7-11/h1-9H,10H2
InChI Key:
HJBJVVJKXTUDQZ-UHFFFAOYSA-N
SMILES:
O=S1N(Cc2ccccc2)Sc2c1cccc2
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.028g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.357g/mol
Monoisotopic Mass:
261.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Synthesis and antifungal activity of 1,3,2-benzodithiazole S-oxides. | Journal of medicinal chemistry 19940304 |
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