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Home > Pyridines > 1365962-18-0
1365962-18-0 | 4-(Methylthio)-2-phenyl-1H-pyrazolo-[4,3-c]pyridine-3,6(2H,5H)-dione
CAS No: 1365962-18-0 Catalog No: AG00HUNC MDL No:MFCD22056663
Product Description
Catalog Number:
AG00HUNC
Chemical Name:
4-(Methylthio)-2-phenyl-1H-pyrazolo-[4,3-c]pyridine-3,6(2H,5H)-dione
CAS Number:
1365962-18-0
Molecular Formula:
C13H11N3O2S
Molecular Weight:
273.3103
MDL Number:
MFCD22056663
IUPAC Name:
4-methylsulfanyl-2-phenyl-1,5-dihydropyrazolo[4,3-c]pyridine-3,6-dione
InChI:
InChI=1S/C13H11N3O2S/c1-19-12-11-9(7-10(17)14-12)15-16(13(11)18)8-5-3-2-4-6-8/h2-7,15H,1H3,(H,14,17)
InChI Key:
VRLUEYOKDGDLRU-UHFFFAOYSA-N
SMILES:
CSc1[nH]c(=O)cc2c1c(=O)n([nH]2)c1ccccc1
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.31g/mol
Monoisotopic Mass:
273.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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