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Home > Indoles and Oxindole > 135531-87-2
135531-87-2 | 1H-Indole, 6-methoxy-3-(2-thiazolyl)-
CAS No: 135531-87-2 Catalog No: AG007ZIX MDL No:
Product Description
Catalog Number:
AG007ZIX
Chemical Name:
1H-Indole, 6-methoxy-3-(2-thiazolyl)-
CAS Number:
135531-87-2
Molecular Formula:
C12H10N2OS
Molecular Weight:
230.2856
IUPAC Name:
2-(6-methoxy-1H-indol-3-yl)-1,3-thiazole
InChI:
InChI=1S/C12H10N2OS/c1-15-8-2-3-9-10(7-14-11(9)6-8)12-13-4-5-16-12/h2-7,14H,1H3
InChI Key:
FGXYYCWDPYDAOS-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)[nH]cc2c1nccs1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.285g/mol
Monoisotopic Mass:
230.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Synthetic inhibitors of the fungal detoxifying enzyme brassinin oxidase based on the phytoalexin camalexin scaffold. | Journal of agricultural and food chemistry 20090325 |
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