200,000+ products from a single source!
sales@angenechem.com
77162-95-9 | 2(1H)-Quinolinone, 4-(4,5-dihydro-5-thioxo-1,3,4-oxadiazol-2-yl)-
CAS No: 77162-95-9 Catalog No: AG005PCJ MDL No:
Product Description
Catalog Number:
AG005PCJ
Chemical Name:
2(1H)-Quinolinone, 4-(4,5-dihydro-5-thioxo-1,3,4-oxadiazol-2-yl)-
CAS Number:
77162-95-9
Molecular Formula:
C11H7N3O2S
Molecular Weight:
245.2572
IUPAC Name:
4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-1H-quinolin-2-one
InChI:
InChI=1S/C11H7N3O2S/c15-9-5-7(10-13-14-11(17)16-10)6-3-1-2-4-8(6)12-9/h1-5H,(H,12,15)(H,14,17)
InChI Key:
NUHCNYSTWUUHBG-UHFFFAOYSA-N
SMILES:
O=c1cc(c2n[nH]c(=S)o2)c2c([nH]1)cccc2
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.026g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.256g/mol
Monoisotopic Mass:
245.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.