chempirical

O-Methylisourea hydrogen sulfate

C2H8N2O5SCAS 52328-05-9172.16 g/mol

Open in Covalent MOL file
ONHNH2OSOHOOH

Properties

Molecular formula
C2H8N2O5S
Molar mass
172.16 g/mol
Exact mass
172.0154 Da
Melting point
118–119 °C
logP
-1.13Crippen estimate
Polar surface area
133.7 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
0

Identifiers

CAS number
52328-05-9
SMILES
COC(=N)N.O=S(=O)(O)O
InChIKey
MDFRYRPNRLLJHT-UHFFFAOYSA-N
InChI
InChI=1S/C2H6N2O.H2O4S/c1-5-2(3)4;1-5(2,3)4/h1H3,(H3,3,4);(H2,1,2,3,4)

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Names and synonyms

6 names
  • Carbamimidic acid, methyl ester, sulfate (2:1)
  • O-Methylpseudourea sulfate (2:1)
  • Methoxyformamidine sulfate (2:1)
  • O-Methylisouronium sulfate
  • O-Methylisourea hemisulfate
  • 2-Methylisouronium sulfate

Work with O-Methylisourea hydrogen sulfate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

O-Methylisourea hydrochloride5329-33-956 % similar Carbamidinium sulfate1184-68-550 % similar Guanidinium sulfate594-14-950 % similar Aminoguanidine sulfate1068-42-447 % similar Aminoguanidine hemisulfate996-19-047 % similar N1,N1-Dimethylguanidine sulfate (2:1)598-65-245 % similar 1,4-Diguanidinobutane sulfate14923-17-239 % similar Diuretamidine sulfate591-01-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

O-Methylpseudourea sulfate29427-58-5

Elsewhere

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