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Home > Indoles and Oxindole > 98508-67-9
98508-67-9 | 1H-Indole, 3-(phenylsulfinyl)-
CAS No: 98508-67-9 Catalog No: AG005UXC MDL No:
Product Description
Catalog Number:
AG005UXC
Chemical Name:
1H-Indole, 3-(phenylsulfinyl)-
CAS Number:
98508-67-9
Molecular Formula:
C14H11NOS
Molecular Weight:
241.3082
IUPAC Name:
3-(benzenesulfinyl)-1H-indole
InChI:
InChI=1S/C14H11NOS/c16-17(11-6-2-1-3-7-11)14-10-15-13-9-5-4-8-12(13)14/h1-10,15H
InChI Key:
QSOCAQZXDDZKER-UHFFFAOYSA-N
SMILES:
O=S(c1c[nH]c2c1cccc2)c1ccccc1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.308g/mol
Monoisotopic Mass:
241.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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