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Home > Indoles and Oxindole > 138590-09-7
138590-09-7 | Propanedinitrile, 2-(2,3-dihydro-2-oxo-1H-indol-3-yl)-2-[(phenylmethyl)thio]-
CAS No: 138590-09-7 Catalog No: AG0018TO MDL No:
Product Description
Catalog Number:
AG0018TO
Chemical Name:
Propanedinitrile, 2-(2,3-dihydro-2-oxo-1H-indol-3-yl)-2-[(phenylmethyl)thio]-
CAS Number:
138590-09-7
Molecular Formula:
C18H13N3OS
Molecular Weight:
319.3803
IUPAC Name:
2-benzylsulfanyl-2-(2-oxo-1,3-dihydroindol-3-yl)propanedinitrile
InChI:
InChI=1S/C18H13N3OS/c19-11-18(12-20,23-10-13-6-2-1-3-7-13)16-14-8-4-5-9-15(14)21-17(16)22/h1-9,16H,10H2,(H,21,22)
InChI Key:
GZHBMKFQIBEMHJ-UHFFFAOYSA-N
SMILES:
N#CC(C1C(=O)Nc2c1cccc2)(SCc1ccccc1)C#N
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.078g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.382g/mol
Monoisotopic Mass:
319.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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