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Home > Indoles and Oxindole > 137777-66-3
137777-66-3 | 1-Propanethiol, 3-[[1-(1H-indol-2-yl)-2-(3-pyridinyl)ethenyl]thio]-
CAS No: 137777-66-3 Catalog No: AG0013U2 MDL No:
Product Description
Catalog Number:
AG0013U2
Chemical Name:
1-Propanethiol, 3-[[1-(1H-indol-2-yl)-2-(3-pyridinyl)ethenyl]thio]-
CAS Number:
137777-66-3
Molecular Formula:
C18H18N2S2
Molecular Weight:
326.4789
IUPAC Name:
3-[1-(1H-indol-2-yl)-2-pyridin-3-ylethenyl]sulfanylpropane-1-thiol
InChI:
InChI=1S/C18H18N2S2/c21-9-4-10-22-18(11-14-5-3-8-19-13-14)17-12-15-6-1-2-7-16(15)20-17/h1-3,5-8,11-13,20-21H,4,9-10H2
InChI Key:
JMOCIMWPHQCGEI-UHFFFAOYSA-N
SMILES:
SCCCSC(=Cc1cccnc1)c1cc2c([nH]1)cccc2
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.091g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.476g/mol
Monoisotopic Mass:
326.091g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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