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Home > Indoles and Oxindole > 88595-25-9
88595-25-9 | 1H-Benz[e]isoindole-1,3(2H)-dione, 4,5-dihydro-2-(2-mercaptoethyl)-
CAS No: 88595-25-9 Catalog No: AG004B36 MDL No:
Product Description
Catalog Number:
AG004B36
Chemical Name:
1H-Benz[e]isoindole-1,3(2H)-dione, 4,5-dihydro-2-(2-mercaptoethyl)-
CAS Number:
88595-25-9
Molecular Formula:
C14H13NO2S
Molecular Weight:
259.3235
IUPAC Name:
2-(2-sulfanylethyl)-4,5-dihydrobenzo[e]isoindole-1,3-dione
InChI:
InChI=1S/C14H13NO2S/c16-13-11-6-5-9-3-1-2-4-10(9)12(11)14(17)15(13)7-8-18/h1-4,18H,5-8H2
InChI Key:
YQLCNCUDKFVMFV-UHFFFAOYSA-N
SMILES:
SCCN1C(=O)C2=C(C1=O)c1ccccc1CC2
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.323g/mol
Monoisotopic Mass:
259.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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