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Home > Indoles and Oxindole > 691848-34-7
691848-34-7 | THIOCYANIC ACID 7-ETHYL-1H-INDOL-3-YL ESTER
CAS No: 691848-34-7 Catalog No: AG005X6L MDL No:
Product Description
Catalog Number:
AG005X6L
Chemical Name:
THIOCYANIC ACID 7-ETHYL-1H-INDOL-3-YL ESTER
CAS Number:
691848-34-7
Molecular Formula:
C11H10N2S
Molecular Weight:
202.2755
IUPAC Name:
(7-ethyl-1H-indol-3-yl) thiocyanate
InChI:
InChI=1S/C11H10N2S/c1-2-8-4-3-5-9-10(14-7-12)6-13-11(8)9/h3-6,13H,2H2,1H3
InChI Key:
HGKSIFXKEUPFPQ-UHFFFAOYSA-N
SMILES:
N#CSc1c[nH]c2c1cccc2CC
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.275g/mol
Monoisotopic Mass:
202.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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