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88038-48-6 | 4H-1,3,4-Thiadiazin-5(6H)-one, 2-(2-quinolinyl)-
CAS No: 88038-48-6 Catalog No: AG004GFL MDL No:
Product Description
Catalog Number:
AG004GFL
Chemical Name:
4H-1,3,4-Thiadiazin-5(6H)-one, 2-(2-quinolinyl)-
CAS Number:
88038-48-6
Molecular Formula:
C12H9N3OS
Molecular Weight:
243.2844
IUPAC Name:
2-quinolin-2-yl-4H-1,3,4-thiadiazin-5-one
InChI:
InChI=1S/C12H9N3OS/c16-11-7-17-12(15-14-11)10-6-5-8-3-1-2-4-9(8)13-10/h1-6H,7H2,(H,14,16)
InChI Key:
DZBOLGMGRPMPCB-UHFFFAOYSA-N
SMILES:
O=C1CSC(=NN1)c1ccc2c(n1)cccc2
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.284g/mol
Monoisotopic Mass:
243.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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