6-acetyl-2-(methylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one


Chemical Name: 6-acetyl-2-(methylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CAS Number: 343375-30-4
Product Number: AG00IQDF(AGN-PC-0WAVM8)
Synonyms:
MDL No: MFCD00232160
Molecular Formula: C8H7N3O2S2
Molecular Weight: 241.2901

Identification/Properties


Computed Properties
Molecular Weight:
241.283g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
240.998g/mol
Monoisotopic Mass:
240.998g/mol
Topological Polar Surface Area:
113A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
439
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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