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Home > Pyridines > 1269531-18-1
1269531-18-1 | 7,8-dihydro-2H-thiopyrano[4,3-c]pyridazin-3(5H)-one
CAS No: 1269531-18-1 Catalog No: AG00J2KF MDL No:MFCD20502921
Product Description
Catalog Number:
AG00J2KF
Chemical Name:
7,8-dihydro-2H-thiopyrano[4,3-c]pyridazin-3(5H)-one
CAS Number:
1269531-18-1
Molecular Formula:
C7H8N2OS
Molecular Weight:
168.2162
MDL Number:
MFCD20502921
IUPAC Name:
2,5,7,8-tetrahydrothiopyrano[4,3-c]pyridazin-3-one
InChI:
InChI=1S/C7H8N2OS/c10-7-3-5-4-11-2-1-6(5)8-9-7/h3H,1-2,4H2,(H,9,10)
InChI Key:
ABZPDOZOYXXXQK-UHFFFAOYSA-N
SMILES:
C1SCCc2c1cc(=O)[nH]n2
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.036g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.214g/mol
Monoisotopic Mass:
168.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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