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147591-62-6 | 1H-Isoindole-1,3(2H)-dione, 2-[2-[(4-aminophenyl)thio]ethyl]-
CAS No: 147591-62-6 Catalog No: AG001EZN MDL No:
Product Description
Catalog Number:
AG001EZN
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-[(4-aminophenyl)thio]ethyl]-
CAS Number:
147591-62-6
Molecular Formula:
C16H14N2O2S
Molecular Weight:
298.3596
IUPAC Name:
2-[2-(4-aminophenyl)sulfanylethyl]isoindole-1,3-dione
InChI:
InChI=1S/C16H14N2O2S/c17-11-5-7-12(8-6-11)21-10-9-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-8H,9-10,17H2
InChI Key:
SYHPYRURUTWAPB-UHFFFAOYSA-N
SMILES:
O=C1N(CCSc2ccc(cc2)N)C(=O)c2c1cccc2
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.078g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.36g/mol
Monoisotopic Mass:
298.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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