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Home > Indoles and Oxindole > 108698-58-4
108698-58-4 | 1H-Indole, 3-(methylsulfinyl)-1-(phenylmethyl)-
CAS No: 108698-58-4 Catalog No: AG007C3G MDL No:
Product Description
Catalog Number:
AG007C3G
Chemical Name:
1H-Indole, 3-(methylsulfinyl)-1-(phenylmethyl)-
CAS Number:
108698-58-4
Molecular Formula:
C16H15NOS
Molecular Weight:
269.3614
IUPAC Name:
1-benzyl-3-methylsulfinylindole
InChI:
InChI=1S/C16H15NOS/c1-19(18)16-12-17(11-13-7-3-2-4-8-13)15-10-6-5-9-14(15)16/h2-10,12H,11H2,1H3
InChI Key:
VQDZHWPYEOEACT-UHFFFAOYSA-N
SMILES:
CS(=O)c1cn(c2c1cccc2)Cc1ccccc1
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.087g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.362g/mol
Monoisotopic Mass:
269.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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