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Home > Indoles and Oxindole > 126769-93-5
126769-93-5 | 1H-Indole, 3-(isothiocyanatomethyl)-1-methoxy-
CAS No: 126769-93-5 Catalog No: AG000T7O MDL No:
Product Description
Catalog Number:
AG000T7O
Chemical Name:
1H-Indole, 3-(isothiocyanatomethyl)-1-methoxy-
CAS Number:
126769-93-5
Molecular Formula:
C11H10N2OS
Molecular Weight:
218.2749
IUPAC Name:
3-(isothiocyanatomethyl)-1-methoxyindole
InChI:
InChI=1S/C11H10N2OS/c1-14-13-7-9(6-12-8-15)10-4-2-3-5-11(10)13/h2-5,7H,6H2,1H3
InChI Key:
FLURSKCCKANNKS-UHFFFAOYSA-N
SMILES:
S=C=NCc1cn(c2c1cccc2)OC
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.274g/mol
Monoisotopic Mass:
218.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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