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Home > Indoles and Oxindole > 112817-82-0
112817-82-0 | 2H-Indole-2-thione, 1,3-dihydro-1,3-diphenyl-
CAS No: 112817-82-0 Catalog No: AG007S75 MDL No:
Product Description
Catalog Number:
AG007S75
Chemical Name:
2H-Indole-2-thione, 1,3-dihydro-1,3-diphenyl-
CAS Number:
112817-82-0
Molecular Formula:
C20H15NS
Molecular Weight:
301.4048
IUPAC Name:
1,3-diphenyl-3H-indole-2-thione
InChI:
InChI=1S/C20H15NS/c22-20-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)21(20)16-11-5-2-6-12-16/h1-14,19H
InChI Key:
VSEBYRKHAMQAAC-UHFFFAOYSA-N
SMILES:
S=C1C(c2ccccc2)c2c(N1c1ccccc1)cccc2
Properties
Complexity:
395
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:
0
Isotope Atom Count:
0
Molecular Weight:
301.407g/mol
Monoisotopic Mass:
301.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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