200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 873443-72-2
873443-72-2 | 3-PYRIDINECARBONITRILE, 6-(1,1-DIOXIDO-4-THIOMORPHOLINYL)-4-(4-FLUORO-2-METHYLPHENYL)-
CAS No: 873443-72-2 Catalog No: AG004O2O MDL No:
Product Description
Catalog Number:
AG004O2O
Chemical Name:
3-PYRIDINECARBONITRILE, 6-(1,1-DIOXIDO-4-THIOMORPHOLINYL)-4-(4-FLUORO-2-METHYLPHENYL)-
CAS Number:
873443-72-2
Molecular Formula:
C17H16FN3O2S
Molecular Weight:
345.3912
IUPAC Name:
6-(1,1-dioxo-1,4-thiazinan-4-yl)-4-(4-fluoro-2-methylphenyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C17H16FN3O2S/c1-12-8-14(18)2-3-15(12)16-9-17(20-11-13(16)10-19)21-4-6-24(22,23)7-5-21/h2-3,8-9,11H,4-7H2,1H3
InChI Key:
XMBFGBOPRCSBRS-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(cc1c1ccc(cc1C)F)N1CCS(=O)(=O)CC1
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.095g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.392g/mol
Monoisotopic Mass:
345.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.