Name: Name:2-[3-(pyridin-2-ylsulfanyl)propyl]-2,3-dihydro-1H-isoindole-1,3-dione
Brand: Angene
SKU: AG01B94H
Rating: 90 (10 reviews)

2-[3-(pyridin-2-ylsulfanyl)propyl]-2,3-dihydro-1H-isoindole-1,3-dione

CAS No.:

443120-58-9

Catalog Number:

AG01B94H

Molecular Formula:

C16H14N2O2S

Molecular Weight:

298.3596

Catalog Number:

AG01B94H

Chemical Name:

2-[3-(pyridin-2-ylsulfanyl)propyl]-2,3-dihydro-1H-isoindole-1,3-dione

CAS Number:

443120-58-9

Molecular Formula:

C16H14N2O2S

Molecular Weight:

298.3596

MDL Number:

MFCD02755477

IUPAC Name:

2-(3-pyridin-2-ylsulfanylpropyl)isoindole-1,3-dione

InChI:

InChI=1S/C16H14N2O2S/c19-15-12-6-1-2-7-13(12)16(20)18(15)10-5-11-21-14-8-3-4-9-17-14/h1-4,6-9H,5,10-11H2

InChI Key:

WXWKEKKGTHDNKD-UHFFFAOYSA-N

SMILES:

O=C1N(CCCSc2ccccn2)C(=O)c2c1cccc2

Complexity:

378

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

298.078g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

298.36g/mol

Monoisotopic Mass:

298.078g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7