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27148-03-4 | 1,2-Benzisothiazole-3(2H)-thione 1,1-dioxide
CAS No: 27148-03-4 Catalog No: AG00BHZJ MDL No:MFCD18451364
Product Description
Catalog Number:
AG00BHZJ
Chemical Name:
1,2-Benzisothiazole-3(2H)-thione 1,1-dioxide
CAS Number:
27148-03-4
Molecular Formula:
C7H5NO2S2
Molecular Weight:
199.2501
MDL Number:
MFCD18451364
IUPAC Name:
1,1-dioxo-1,2-benzothiazole-3-thione
InChI:
InChI=1S/C7H5NO2S2/c9-12(10)6-4-2-1-3-5(6)7(11)8-12/h1-4H,(H,8,11)
InChI Key:
BAVQVWLILLHJKA-UHFFFAOYSA-N
SMILES:
SC1=NS(=O)(=O)c2c1cccc2
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.976g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.242g/mol
Monoisotopic Mass:
198.976g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| The conformations of two copper(I) complexes of 1H-benzimidazole-2(3H)-thione and thiosaccharinate. | Acta crystallographica. Section C, Crystal structure communications 20120101 |
| Poly[(mu3-1,1-dioxo-1,2-benzoisothiazole-3-thiolato-kappa3N:S3:S3)silver(I)]. | Acta crystallographica. Section C, Crystal structure communications 20070901 |
| Pseudosaccharin amine derivatives: synthesis and elastase inhibitory activity. | Die Pharmazie 20051001 |
| Redox-responsive and calcium-dependent switching of glycosyldisulfide interactions with Concanavalin A. | Bioorganic & medicinal chemistry letters 20050602 |
| Design, chemical synthesis, and biological evaluation of thiosaccharide analogues of morphine- and codeine-6-glucuronide. | Journal of medicinal chemistry 20041104 |
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