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88038-35-1 | 2H-1,3,4-Thiadiazin-2-one, 3,6-dihydro-5-(3-quinolinyl)-
CAS No: 88038-35-1 Catalog No: AG004GFN MDL No:
Product Description
Catalog Number:
AG004GFN
Chemical Name:
2H-1,3,4-Thiadiazin-2-one, 3,6-dihydro-5-(3-quinolinyl)-
CAS Number:
88038-35-1
Molecular Formula:
C12H9N3OS
Molecular Weight:
243.2844
IUPAC Name:
5-quinolin-3-yl-3,6-dihydro-1,3,4-thiadiazin-2-one
InChI:
InChI=1S/C12H9N3OS/c16-12-15-14-11(7-17-12)9-5-8-3-1-2-4-10(8)13-6-9/h1-6H,7H2,(H,15,16)
InChI Key:
NSXZXRJCDULGPY-UHFFFAOYSA-N
SMILES:
O=C1NN=C(CS1)c1cnc2c(c1)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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