200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 112435-22-0
112435-22-0 | 1H-Indole, 4-(3-methyl-1-oxo-3-butenyl)-1-[(4-methylphenyl)sulfonyl]-
CAS No: 112435-22-0 Catalog No: AG0082HU MDL No:
Product Description
Catalog Number:
AG0082HU
Chemical Name:
1H-Indole, 4-(3-methyl-1-oxo-3-butenyl)-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
112435-22-0
Molecular Formula:
C20H19NO3S
Molecular Weight:
353.4348
IUPAC Name:
3-methyl-1-[1-(4-methylphenyl)sulfonylindol-4-yl]but-3-en-1-one
InChI:
InChI=1S/C20H19NO3S/c1-14(2)13-20(22)18-5-4-6-19-17(18)11-12-21(19)25(23,24)16-9-7-15(3)8-10-16/h4-12H,1,13H2,2-3H3
InChI Key:
NKPWKJCHUZTGBS-UHFFFAOYSA-N
SMILES:
CC(=C)CC(=O)c1cccc2c1ccn2S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
613
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.109g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.436g/mol
Monoisotopic Mass:
353.109g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.