O-Methylpseudourea sulfate

C₂H₈N₂O₅SCAS 29427-58-5172.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂H₈N₂O₅S
Molar mass: 172.16 g/mol
Exact mass: 172.0154 Da
Melting point: 116–119 °C
logP: -1.13Crippen estimate
Polar surface area: 133.7 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 0

Identifiers

CAS number

29427-58-5

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

Carbamimidic acid, methyl ester, sulfate (1:1)
Pseudourea, 2-methyl-, sulfate (1:1)
O-Methylisouronium hydrogen sulfate
O-Methylisourea bisulfate
Methyl carbamimidate sulfate

Work with O-Methylpseudourea 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-Methylisourea hydrogen sulfate52328-05-9

Elsewhere

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