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Home > Indoles and Oxindole > 111509-56-9
111509-56-9 | 1H-Indole, 4-[(cyanomethyl)thio]-1-[(4-methylphenyl)sulfonyl]-
CAS No: 111509-56-9 Catalog No: AG007SV8 MDL No:
Product Description
Catalog Number:
AG007SV8
Chemical Name:
1H-Indole, 4-[(cyanomethyl)thio]-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
111509-56-9
Molecular Formula:
C17H14N2O2S2
Molecular Weight:
342.4353
IUPAC Name:
2-[1-(4-methylphenyl)sulfonylindol-4-yl]sulfanylacetonitrile
InChI:
InChI=1S/C17H14N2O2S2/c1-13-5-7-14(8-6-13)23(20,21)19-11-9-15-16(19)3-2-4-17(15)22-12-10-18/h2-9,11H,12H2,1H3
InChI Key:
PZJOUVCMMLFKQQ-UHFFFAOYSA-N
SMILES:
N#CCSc1cccc2c1ccn2S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.05g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.431g/mol
Monoisotopic Mass:
342.05g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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