5-Pyrimidinecarboxylic acid, 2-(methylthio)-, ethyl ester


Chemical Name: 5-Pyrimidinecarboxylic acid, 2-(methylthio)-, ethyl ester
CAS Number: 73781-88-1
Product Number: AG003Q1V(AGN-PC-0N4J17)
Synonyms:
MDL No: MFCD07779178
Molecular Formula: C8H10N2O2S
Molecular Weight: 198.2422

Identification/Properties


Properties
MP:
38-40℃
BP:
313.5±15.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
198.24g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
198.046g/mol
Monoisotopic Mass:
198.046g/mol
Topological Polar Surface Area:
77.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
170
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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