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303064-94-0 | 3-(1-Methylhydrazino)-1,2-benzisothiazole1,1-dioxide
CAS No: 303064-94-0 Catalog No: AG00I5OR MDL No:MFCD00469777
Product Description
Catalog Number:
AG00I5OR
Chemical Name:
3-(1-Methylhydrazino)-1,2-benzisothiazole1,1-dioxide
CAS Number:
303064-94-0
Molecular Formula:
C8H9N3O2S
Molecular Weight:
211.2410
MDL Number:
MFCD00469777
IUPAC Name:
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-methylhydrazine
InChI:
InChI=1S/C8H9N3O2S/c1-11(9)8-6-4-2-3-5-7(6)14(12,13)10-8/h2-5H,9H2,1H3
InChI Key:
RQGWZBBWDZAJAK-UHFFFAOYSA-N
SMILES:
CN(C1=NS(=O)(=O)c2c1cccc2)N
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.042g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.239g/mol
Monoisotopic Mass:
211.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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