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Home > Indoles and Oxindole > 874296-10-3
874296-10-3 | 1H-Indole, 3-[[2-(1-piperazinyl)phenyl]thio]-
CAS No: 874296-10-3 Catalog No: AG004J02 MDL No:
Product Description
Catalog Number:
AG004J02
Chemical Name:
1H-Indole, 3-[[2-(1-piperazinyl)phenyl]thio]-
CAS Number:
874296-10-3
Molecular Formula:
C18H19N3S
Molecular Weight:
309.4286
IUPAC Name:
3-(2-piperazin-1-ylphenyl)sulfanyl-1H-indole
InChI:
InChI=1S/C18H19N3S/c1-2-6-15-14(5-1)18(13-20-15)22-17-8-4-3-7-16(17)21-11-9-19-10-12-21/h1-8,13,19-20H,9-12H2
InChI Key:
IEASOXWLILLCAI-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1ccccc1Sc1c[nH]c2c1cccc2
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.13g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.431g/mol
Monoisotopic Mass:
309.13g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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