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41230-20-0 | 2-Benzo[1,3]dioxol-5-yl-benzothiazole
CAS No: 41230-20-0 Catalog No: AG00CIW4 MDL No:
Product Description
Catalog Number:
AG00CIW4
Chemical Name:
2-Benzo[1,3]dioxol-5-yl-benzothiazole
CAS Number:
41230-20-0
IUPAC Name:
2-(1,3-benzodioxol-5-yl)-1,3-benzothiazole
InChI:
InChI=1S/C14H9NO2S/c1-2-4-13-10(3-1)15-14(18-13)9-5-6-11-12(7-9)17-8-16-11/h1-7H,8H2
InChI Key:
KFRUKJKGQSVNAD-UHFFFAOYSA-N
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.035g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.291g/mol
Monoisotopic Mass:
255.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| 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 |
| Antitumor benzothiazoles. 26.(1) 2-(3,4-dimethoxyphenyl)-5-fluorobenzothiazole (GW 610, NSC 721648), a simple fluorinated 2-arylbenzothiazole, shows potent and selective inhibitory activity against lung, colon, and breast cancer cell lines. | Journal of medicinal chemistry 20060112 |
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