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Home > Indoles and Oxindole > 108698-57-3
108698-57-3 | 1H-Indole, 1-methyl-3-(phenylsulfinyl)-
CAS No: 108698-57-3 Catalog No: AG007C3H MDL No:
Product Description
Catalog Number:
AG007C3H
Chemical Name:
1H-Indole, 1-methyl-3-(phenylsulfinyl)-
CAS Number:
108698-57-3
Molecular Formula:
C15H13NOS
Molecular Weight:
255.3348
IUPAC Name:
3-(benzenesulfinyl)-1-methylindole
InChI:
InChI=1S/C15H13NOS/c1-16-11-15(13-9-5-6-10-14(13)16)18(17)12-7-3-2-4-8-12/h2-11H,1H3
InChI Key:
JDJYMBWIFUCFTQ-UHFFFAOYSA-N
SMILES:
O=S(c1cn(c2c1cccc2)C)c1ccccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.335g/mol
Monoisotopic Mass:
255.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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