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Home > Indoles and Oxindole > 88683-48-1
88683-48-1 | 1H-Isoindole-1,3(2H)-dione, 2-[(1-phenylethyl)thio]-
CAS No: 88683-48-1 Catalog No: AG004794 MDL No:
Product Description
Catalog Number:
AG004794
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(1-phenylethyl)thio]-
CAS Number:
88683-48-1
Molecular Formula:
C16H13NO2S
Molecular Weight:
283.3449
IUPAC Name:
2-(1-phenylethylsulfanyl)isoindole-1,3-dione
InChI:
InChI=1S/C16H13NO2S/c1-11(12-7-3-2-4-8-12)20-17-15(18)13-9-5-6-10-14(13)16(17)19/h2-11H,1H3
InChI Key:
KWIKMORQSOPOLW-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)SN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.067g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.345g/mol
Monoisotopic Mass:
283.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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