200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 890045-61-1
890045-61-1 | 9H-Thioxanthen-9-one, 3-(4-pyridinyl)-, 10,10-dioxide
CAS No: 890045-61-1 Catalog No: AG004622 MDL No:
Product Description
Catalog Number:
AG004622
Chemical Name:
9H-Thioxanthen-9-one, 3-(4-pyridinyl)-, 10,10-dioxide
CAS Number:
890045-61-1
Molecular Formula:
C18H11NO3S
Molecular Weight:
321.3498
IUPAC Name:
10,10-dioxo-3-pyridin-4-ylthioxanthen-9-one
InChI:
InChI=1S/C18H11NO3S/c20-18-14-3-1-2-4-16(14)23(21,22)17-11-13(5-6-15(17)18)12-7-9-19-10-8-12/h1-11H
InChI Key:
FFIZDPPPZVISJE-UHFFFAOYSA-N
SMILES:
O=C1c2ccc(cc2S(=O)(=O)c2c1cccc2)c1ccncc1
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.046g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.35g/mol
Monoisotopic Mass:
321.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.