200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 116741-00-5
116741-00-5 | 1H-Isoindole-1,3(2H)-dione, 2-[3-(4-pyridinylthio)propyl]-
CAS No: 116741-00-5 Catalog No: AG000D65 MDL No:
Product Description
Catalog Number:
AG000D65
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[3-(4-pyridinylthio)propyl]-
CAS Number:
116741-00-5
Molecular Formula:
C16H14N2O2S
Molecular Weight:
298.3596
IUPAC Name:
2-(3-pyridin-4-ylsulfanylpropyl)isoindole-1,3-dione
InChI:
InChI=1S/C16H14N2O2S/c19-15-13-4-1-2-5-14(13)16(20)18(15)10-3-11-21-12-6-8-17-9-7-12/h1-2,4-9H,3,10-11H2
InChI Key:
NPVYRAFMOQKCJD-UHFFFAOYSA-N
SMILES:
O=C1N(CCCSc2ccncc2)C(=O)c2c1cccc2
Properties
Complexity:
372
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:
0
Isotope Atom Count:
0
Molecular Weight:
298.36g/mol
Monoisotopic Mass:
298.078g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.