4(1H)-Pyrimidinone, 2,3-dihydro-5-methoxy-2-thioxo-


Chemical Name: 4(1H)-Pyrimidinone, 2,3-dihydro-5-methoxy-2-thioxo-
CAS Number: 6939-11-3
Product Number: AG00IBXN(AGN-PC-0KKPRB)
Synonyms:
MDL No:
Molecular Formula: C5H6N2O2S
Molecular Weight: 158.1783

Identification/Properties


Computed Properties
Molecular Weight:
158.175g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
158.015g/mol
Monoisotopic Mass:
158.015g/mol
Topological Polar Surface Area:
82.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
212
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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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