200,000+ products from a single source!
sales@angenechem.com
72180-53-1 | 2(1H)-Quinolinone, 6-[4-(phenylsulfinyl)butoxy]-
CAS No: 72180-53-1 Catalog No: AG005VCX MDL No:
Product Description
Catalog Number:
AG005VCX
Chemical Name:
2(1H)-Quinolinone, 6-[4-(phenylsulfinyl)butoxy]-
CAS Number:
72180-53-1
Molecular Formula:
C19H19NO3S
Molecular Weight:
341.4241
IUPAC Name:
6-[4-(benzenesulfinyl)butoxy]-1H-quinolin-2-one
InChI:
InChI=1S/C19H19NO3S/c21-19-11-8-15-14-16(9-10-18(15)20-19)23-12-4-5-13-24(22)17-6-2-1-3-7-17/h1-3,6-11,14H,4-5,12-13H2,(H,20,21)
InChI Key:
NHKIFYDGOCNNEL-UHFFFAOYSA-N
SMILES:
O=S(c1ccccc1)CCCCOc1ccc2c(c1)ccc(=O)[nH]2
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.109g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.425g/mol
Monoisotopic Mass:
341.109g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.