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29483-73-6 | Benzenamine, 2-(2-benzothiazolyl)-
CAS No: 29483-73-6 Catalog No: AG002YJC MDL No:MFCD00937701
Product Description
Catalog Number:
AG002YJC
Chemical Name:
Benzenamine, 2-(2-benzothiazolyl)-
CAS Number:
29483-73-6
Molecular Formula:
C13H10N2S
Molecular Weight:
226.2969
MDL Number:
MFCD00937701
IUPAC Name:
2-(1,3-benzothiazol-2-yl)aniline
InChI:
InChI=1S/C13H10N2S/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H,14H2
InChI Key:
RAASYFFQTCWEKN-UHFFFAOYSA-N
SMILES:
Nc1ccccc1c1nc2c(s1)cccc2
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.297g/mol
Monoisotopic Mass:
226.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| 2-Arylbenzothiazole, benzoxazole and benzimidazole derivatives as fluorogenic substrates for the detection of nitroreductase and aminopeptidase activity in clinically important bacteria. | Bioorganic & medicinal chemistry 20110501 |
| 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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