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Home > Indoles and Oxindole > 139963-64-7
139963-64-7 | Ethanone, 2,2'-thiobis[1-(1H-indol-3-yl)-
CAS No: 139963-64-7 Catalog No: AG001BV8 MDL No:
Product Description
Catalog Number:
AG001BV8
Chemical Name:
Ethanone, 2,2'-thiobis[1-(1H-indol-3-yl)-
CAS Number:
139963-64-7
Molecular Formula:
C20H16N2O2S
Molecular Weight:
348.4182
IUPAC Name:
1-(1H-indol-3-yl)-2-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanylethanone
InChI:
InChI=1S/C20H16N2O2S/c23-19(15-9-21-17-7-3-1-5-13(15)17)11-25-12-20(24)16-10-22-18-8-4-2-6-14(16)18/h1-10,21-22H,11-12H2
InChI Key:
IQGKHMUFQZIGGN-UHFFFAOYSA-N
SMILES:
O=C(c1c[nH]c2c1cccc2)CSCC(=O)c1c[nH]c2c1cccc2
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.093g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
348.42g/mol
Monoisotopic Mass:
348.093g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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