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Home > Pyridines > 1332172-25-4
1332172-25-4 | 6-(thiomorpholin-4-yl)-2,3-dihydropyridazin-3-one
CAS No: 1332172-25-4 Catalog No: AG018S7S MDL No:MFCD20233855
Product Description
Catalog Number:
AG018S7S
Chemical Name:
6-(thiomorpholin-4-yl)-2,3-dihydropyridazin-3-one
CAS Number:
1332172-25-4
Molecular Formula:
C8H11N3OS
Molecular Weight:
197.2574
MDL Number:
MFCD20233855
IUPAC Name:
3-thiomorpholin-4-yl-1H-pyridazin-6-one
InChI:
InChI=1S/C8H11N3OS/c12-8-2-1-7(9-10-8)11-3-5-13-6-4-11/h1-2H,3-6H2,(H,10,12)
InChI Key:
LNPWCHVNCYVDKT-UHFFFAOYSA-N
SMILES:
O=c1ccc(n[nH]1)N1CCSCC1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.062g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.256g/mol
Monoisotopic Mass:
197.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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