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Home > Indoles and Oxindole > 139963-65-8
139963-65-8 | Ethanone, 2,2'-thiobis[1-(2-methyl-1H-indol-3-yl)-
CAS No: 139963-65-8 Catalog No: AG001BV7 MDL No:
Product Description
Catalog Number:
AG001BV7
Chemical Name:
Ethanone, 2,2'-thiobis[1-(2-methyl-1H-indol-3-yl)-
CAS Number:
139963-65-8
Molecular Formula:
C22H20N2O2S
Molecular Weight:
376.4714
IUPAC Name:
1-(2-methyl-1H-indol-3-yl)-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanylethanone
InChI:
InChI=1S/C22H20N2O2S/c1-13-21(15-7-3-5-9-17(15)23-13)19(25)11-27-12-20(26)22-14(2)24-18-10-6-4-8-16(18)22/h3-10,23-24H,11-12H2,1-2H3
InChI Key:
NVELXKLYMFRXGG-UHFFFAOYSA-N
SMILES:
O=C(c1c(C)[nH]c2c1cccc2)CSCC(=O)c1c(C)[nH]c2c1cccc2
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.125g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
376.474g/mol
Monoisotopic Mass:
376.125g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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