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135692-39-6 | 8-METHOXY-4,4-DIMETHYL-4,5-DIHYDRO-1H-[1,2]DITHIOLO[3,4-C]QUINOLINE-1-THIONE
CAS No: 135692-39-6 Catalog No: AG009B3D MDL No:MFCD00187425
Product Description
Catalog Number:
AG009B3D
Chemical Name:
8-METHOXY-4,4-DIMETHYL-4,5-DIHYDRO-1H-[1,2]DITHIOLO[3,4-C]QUINOLINE-1-THIONE
CAS Number:
135692-39-6
Molecular Formula:
C13H13NOS3
Molecular Weight:
295.4434
MDL Number:
MFCD00187425
IUPAC Name:
8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinoline-1-thione
InChI:
InChI=1S/C13H13NOS3/c1-13(2)11-10(12(16)18-17-11)8-6-7(15-3)4-5-9(8)14-13/h4-6,14H,1-3H3
InChI Key:
SPXSPOSYQMJSMI-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c1c(=S)ssc1C(N2)(C)C
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.016g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.433g/mol
Monoisotopic Mass:
295.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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