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4791-94-0 | 1,3-Dioxolo[4,5-f]benzothiazole,6-methyl-(7CI,8CI,9CI)
CAS No: 4791-94-0 Catalog No: AG00DVMA MDL No:MFCD00185337
Product Description
Catalog Number:
AG00DVMA
Chemical Name:
1,3-Dioxolo[4,5-f]benzothiazole,6-methyl-(7CI,8CI,9CI)
CAS Number:
4791-94-0
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
MDL Number:
MFCD00185337
IUPAC Name:
6-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazole
InChI:
InChI=1S/C9H7NO2S/c1-5-10-6-2-7-8(12-4-11-7)3-9(6)13-5/h2-3H,4H2,1H3
InChI Key:
DYHNUNYGLLPGKS-UHFFFAOYSA-N
SMILES:
Cc1sc2c(n1)cc1c(c2)OCO1
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.22g/mol
Monoisotopic Mass:
193.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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