2,5,6-trideuterio-3H-thieno[2,3-d]pyrimidin-4-one


Chemical Name: 2,5,6-trideuterio-3H-thieno[2,3-d]pyrimidin-4-one
CAS Number: 14080-50-3
Product Number: AG001CSS(AGN-PC-0C5OOF)
Synonyms:
MDL No: MFCD00706456
Molecular Formula: C6H4N2OS
Molecular Weight: 152.1738

Identification/Properties


Properties
MP:
262-265 °C
BP:
391.1°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
152.171g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
152.004g/mol
Monoisotopic Mass:
152.004g/mol
Topological Polar Surface Area:
69.7A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
192
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#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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