6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one


Chemical Name: 6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CAS Number: 18593-51-6
Product Number: AG007SSA(AGN-PC-0JU9MH)
Synonyms:
MDL No:
Molecular Formula: C8H8N2OS
Molecular Weight: 180.2269

Identification/Properties


Computed Properties
Molecular Weight:
180.225g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
180.036g/mol
Monoisotopic Mass:
180.036g/mol
Topological Polar Surface Area:
69.7A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
229
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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