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Home > Indoles and Oxindole > 864058-68-4
864058-68-4 | 2H-INDOL-2-ONE, 1,3-DIHYDRO-1-METHYL-5-[(TRIPHENYLMETHYL)DITHIO]-
CAS No: 864058-68-4 Catalog No: AG004R6U MDL No:
Product Description
Catalog Number:
AG004R6U
Chemical Name:
2H-INDOL-2-ONE, 1,3-DIHYDRO-1-METHYL-5-[(TRIPHENYLMETHYL)DITHIO]-
CAS Number:
864058-68-4
Molecular Formula:
C28H23NOS2
Molecular Weight:
453.6183
IUPAC Name:
1-methyl-5-(trityldisulfanyl)-3H-indol-2-one
InChI:
InChI=1S/C28H23NOS2/c1-29-26-18-17-25(19-21(26)20-27(29)30)31-32-28(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-19H,20H2,1H3
InChI Key:
RBDCLBPGBJRDJC-UHFFFAOYSA-N
SMILES:
O=C1Cc2c(N1C)ccc(c2)SSC(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
575
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.122g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
453.618g/mol
Monoisotopic Mass:
453.122g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
70.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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