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Home > Indoles and Oxindole > 120517-31-9
120517-31-9 | 1H-Indole, 2-(phenylthio)-
CAS No: 120517-31-9 Catalog No: AG0075YD MDL No:
Product Description
Catalog Number:
AG0075YD
Chemical Name:
1H-Indole, 2-(phenylthio)-
CAS Number:
120517-31-9
Molecular Formula:
C14H11NS
Molecular Weight:
225.3088
IUPAC Name:
2-phenylsulfanyl-1H-indole
InChI:
InChI=1S/C14H11NS/c1-2-7-12(8-3-1)16-14-10-11-6-4-5-9-13(11)15-14/h1-10,15H
InChI Key:
FWYRWEJVTFYFPK-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Sc1cc2c([nH]1)cccc2
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.061g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.309g/mol
Monoisotopic Mass:
225.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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