chempirical

S-Methylisothiourea hemisulfate

C2H8N2O4S2CAS 867-44-7188.22 g/mol

Open in Covalent MOL file
SNHNH2OSOHOOH
Sulfide

Properties

Molecular formula
C2H8N2O4S2
Molar mass
188.22 g/mol
Exact mass
187.9925 Da
Melting point
239 °C
logP
-0.41Crippen estimate
Polar surface area
124.5 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
0

Identifiers

CAS number
867-44-7
SMILES
CSC(=N)N.O=S(=O)(O)O
InChIKey
NNBBQNFHCVVQHZ-UHFFFAOYSA-N
InChI
InChI=1S/C2H6N2S.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

14 names · show all
  • Carbamimidothioic acid, methyl ester, sulfate (2:1)
  • Pseudourea, 2-methyl-2-thio-, sulfate (2:1)
  • S-Methylthiouronium sulfate (2:1)
  • S-Methylisothiourea sulfate (2:1)
  • 2-Methyl-2-thiopseudourea sulfate (2:1)
  • Methylthioformamidine sulfate (2:1)
  • Methylisothiourea sulfate (2:1)
  • S-Methylthiopseudourea sulfate
  • S-Methylisothiouronium hemisulfate
  • S-Methylisothiourea semisulfate
  • S-Methylisothiourea hemisulfuric acid salt
  • Bis(S-methylisothiouronium) sulfate
  • S-Methylisothioura hemisulfate
  • S-Methyl isothiourea sulfate

Work with S-Methylisothiourea hemisulfate

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

Methylisothiourea2986-19-863 % similar Carbamidinium sulfate1184-68-550 % similar Guanidinium sulfate594-14-950 % similar O-Methylpseudourea sulfate29427-58-545 % similar O-Methylisourea hydrogen sulfate52328-05-945 % similar N1,N1-Dimethylguanidine sulfate (2:1)598-65-245 % similar Aminoguanidine sulfate1068-42-442 % similar Aminoguanidine hemisulfate996-19-042 % similar

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

Elsewhere

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