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Home > Indoles and Oxindole > 87943-25-7
87943-25-7 | 1H-Isoindole-1,3(2H)-dione, 2-[3-[(4-methylphenyl)sulfinyl]propyl]-
CAS No: 87943-25-7 Catalog No: AG004D5T MDL No:
Product Description
Catalog Number:
AG004D5T
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[3-[(4-methylphenyl)sulfinyl]propyl]-
CAS Number:
87943-25-7
Molecular Formula:
C18H17NO3S
Molecular Weight:
327.3975
IUPAC Name:
2-[3-(4-methylphenyl)sulfinylpropyl]isoindole-1,3-dione
InChI:
InChI=1S/C18H17NO3S/c1-13-7-9-14(10-8-13)23(22)12-4-11-19-17(20)15-5-2-3-6-16(15)18(19)21/h2-3,5-10H,4,11-12H2,1H3
InChI Key:
GPSFTXZFJQJFQO-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)CCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.093g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.398g/mol
Monoisotopic Mass:
327.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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