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Home > Indoles and Oxindole > 929083-72-7
929083-72-7 | 1H-Indole, 3-isothiocyanato-4-methoxy-
CAS No: 929083-72-7 Catalog No: AG00685N MDL No:
Product Description
Catalog Number:
AG00685N
Chemical Name:
1H-Indole, 3-isothiocyanato-4-methoxy-
CAS Number:
929083-72-7
Molecular Formula:
C10H8N2OS
Molecular Weight:
204.2483
IUPAC Name:
3-isothiocyanato-4-methoxy-1H-indole
InChI:
InChI=1S/C10H8N2OS/c1-13-9-4-2-3-7-10(9)8(5-11-7)12-6-14/h2-5,11H,1H3
InChI Key:
DJDFPSQNQFBWJR-UHFFFAOYSA-N
SMILES:
S=C=Nc1c[nH]c2c1c(OC)ccc2
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.247g/mol
Monoisotopic Mass:
204.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| The cruciferous phytoalexins rapalexin A, brussalexin A and erucalexin: chemistry and metabolism in Leptosphaeria maculans. | Bioorganic & medicinal chemistry 20120701 |
| Phytoalexins and phytoanticipins from the wild crucifers Thellungiella halophila and Arabidopsis thaliana: rapalexin A, wasalexins and camalexin. | Phytochemistry 20080201 |
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