4-Pyrimidinecarboxylic acid, 5-amino-2-(methylthio)-


Chemical Name: 4-Pyrimidinecarboxylic acid, 5-amino-2-(methylthio)-
CAS Number: 100130-05-0
Product Number: AG00011I(AGN-PC-00OY2Y)
Synonyms:
MDL No: MFCD12407810
Molecular Formula: C6H7N3O2S
Molecular Weight: 185.2037

Identification/Properties


Properties
MP:
190 - 191.5 °C
BP:
434.9°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
185.201g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
185.026g/mol
Monoisotopic Mass:
185.026g/mol
Topological Polar Surface Area:
114A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
178
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-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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