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

Hazards

Warning

H315 Causes skin irritation97.5% of notifiers
H319 Causes serious eye irritation97.5% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

O-Methylisourea hydrochloride5329-33-9Salt O-Methylisourea hydrogen sulfate52328-05-9

Similar compounds

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 S-Methylisothiourea hemisulfate867-44-745 % similar Semicarbazide sulfate101366-35-239 % similar 1,4-Diguanidinobutane sulfate14923-17-239 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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