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307496-37-3 | 4(3H)-Pyrimidinethione, 2,6-diamino-, sulfate (1:1)
CAS No: 307496-37-3 Catalog No: AG00314V MDL No:MFCD01863745
Product Description
Catalog Number:
AG00314V
Chemical Name:
4(3H)-Pyrimidinethione, 2,6-diamino-, sulfate (1:1)
CAS Number:
307496-37-3
Molecular Formula:
C4H8N4O4S2
Molecular Weight:
240.2607
MDL Number:
MFCD01863745
IUPAC Name:
2,6-diamino-1H-pyrimidine-4-thione;sulfuric acid
InChI:
InChI=1S/C4H6N4S.H2O4S/c5-2-1-3(9)8-4(6)7-2;1-5(2,3)4/h1H,(H5,5,6,7,8,9);(H2,1,2,3,4)
InChI Key:
FVSVUQJNAZQSFX-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.Nc1nc(N)[nH]c(=S)c1
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.999g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
240.252g/mol
Monoisotopic Mass:
239.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
192A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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