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166883-21-2 | 2H-Indol-2-one, 5,5'-dithiobis[1,3-dihydro-1-methyl- (9CI)
CAS No: 166883-21-2 Catalog No: AG001WZ3 MDL No:
Product Description
Catalog Number:
AG001WZ3
Chemical Name:
2H-Indol-2-one, 5,5'-dithiobis[1,3-dihydro-1-methyl- (9CI)
CAS Number:
166883-21-2
Molecular Formula:
C18H16N2O2S2
Molecular Weight:
356.4618
IUPAC Name:
1-methyl-5-[(1-methyl-2-oxo-3H-indol-5-yl)disulfanyl]-3H-indol-2-one
InChI:
InChI=1S/C18H16N2O2S2/c1-19-15-5-3-13(7-11(15)9-17(19)21)23-24-14-4-6-16-12(8-14)10-18(22)20(16)2/h3-8H,9-10H2,1-2H3
InChI Key:
BMXOQJZCLXWKFT-UHFFFAOYSA-N
SMILES:
O=C1Cc2c(N1C)ccc(c2)SSc1ccc2c(c1)CC(=O)N2C
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.065g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.458g/mol
Monoisotopic Mass:
356.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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