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Home > Indoles and Oxindole > 117007-72-4
117007-72-4 | 2H-Indole-2-thione, 1,3-dihydro-3,3-diphenyl-
CAS No: 117007-72-4 Catalog No: AG000DK0 MDL No:
Product Description
Catalog Number:
AG000DK0
Chemical Name:
2H-Indole-2-thione, 1,3-dihydro-3,3-diphenyl-
CAS Number:
117007-72-4
Molecular Formula:
C20H15NS
Molecular Weight:
301.4048
IUPAC Name:
3,3-diphenyl-1H-indole-2-thione
InChI:
InChI=1S/C20H15NS/c22-19-20(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-18(17)21-19/h1-14H,(H,21,22)
InChI Key:
ZXVRIKZZJAKLSN-UHFFFAOYSA-N
SMILES:
S=C1Nc2c(C1(c1ccccc1)c1ccccc1)cccc2
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.093g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.407g/mol
Monoisotopic Mass:
301.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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