Home Aminos 4,5,6-triaminopyrimidin-2(1h)-one sulfate(1:1)

4,5,6-triaminopyrimidin-2(1h)-one sulfate(1:1)

CAS No.:
78270-92-5
Catalog Number:
AG008N6Y
Molecular Formula:
C4H9N5O5S
Molecular Weight:
239.2098
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Product Description
Catalog Number:
AG008N6Y
Chemical Name:
4,5,6-triaminopyrimidin-2(1h)-one sulfate(1:1)
CAS Number:
78270-92-5
Molecular Formula:
C4H9N5O5S
Molecular Weight:
239.2098
MDL Number:
MFCD00039040
IUPAC Name:
sulfuric acid;4,5,6-triamino-1H-pyrimidin-2-one
InChI:
InChI=1S/C4H7N5O.H2O4S/c5-1-2(6)8-4(10)9-3(1)7;1-5(2,3)4/h5H2,(H5,6,7,8,9,10);(H2,1,2,3,4)
InChI Key:
AXXYYKHTSANFOE-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.O=c1nc(N)c(c([nH]1)N)N
NSC Number:
142556
Properties
Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.032g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
239.206g/mol
Monoisotopic Mass:
239.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
203A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties