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66978-47-0 | 6-Phenyl-2-[2-(thiocarbamoyl)ethyl]-3(2H)-pyridazinone
CAS No: 66978-47-0 Catalog No: AG00FY2T MDL No:
Product Description
Catalog Number:
AG00FY2T
Chemical Name:
6-Phenyl-2-[2-(thiocarbamoyl)ethyl]-3(2H)-pyridazinone
CAS Number:
66978-47-0
IUPAC Name:
3-(6-oxo-3-phenylpyridazin-1-yl)propanethioamide
InChI:
InChI=1S/C13H13N3OS/c14-12(18)8-9-16-13(17)7-6-11(15-16)10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,14,18)
InChI Key:
XETJUSASDGPOTP-UHFFFAOYSA-N
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.078g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.327g/mol
Monoisotopic Mass:
259.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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