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119752-76-0 | 8H-Isothiazolo[5,4-b]indole
CAS No: 119752-76-0 Catalog No: AG000PLS MDL No:
Product Description
Catalog Number:
AG000PLS
Chemical Name:
8H-Isothiazolo[5,4-b]indole
CAS Number:
119752-76-0
Molecular Formula:
C9H6N2S
Molecular Weight:
174.2223
IUPAC Name:
4H-[1,2]thiazolo[5,4-b]indole
InChI:
InChI=1S/C9H6N2S/c1-2-4-8-6(3-1)7-5-10-12-9(7)11-8/h1-5,11H
InChI Key:
NHMBEDDKDVIBQD-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1cnsc1[nH]2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.221g/mol
Monoisotopic Mass:
174.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Design, synthesis, and antifungal activity of inhibitors of brassilexin detoxification in the plant pathogenic fungus Leptosphaeria maculans. | Bioorganic & medicinal chemistry 20060201 |
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