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Home > Indoles and Oxindole > 116757-22-3
116757-22-3 | 1H-Indole, 3-(2-naphthalenylthio)-
CAS No: 116757-22-3 Catalog No: AG000D6L MDL No:
Product Description
Catalog Number:
AG000D6L
Chemical Name:
1H-Indole, 3-(2-naphthalenylthio)-
CAS Number:
116757-22-3
Molecular Formula:
C18H13NS
Molecular Weight:
275.3675
IUPAC Name:
3-naphthalen-2-ylsulfanyl-1H-indole
InChI:
InChI=1S/C18H13NS/c1-2-6-14-11-15(10-9-13(14)5-1)20-18-12-19-17-8-4-3-7-16(17)18/h1-12,19H
InChI Key:
QLTFPLQBYLVJEN-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)cc(cc2)Sc1c[nH]c2c1cccc2
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.077g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.369g/mol
Monoisotopic Mass:
275.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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