chempirical

Cystamine sulfate

C4H14N2O4S3CAS 16214-16-7250.35 g/mol

Open in Covalent MOL file
H2NSSNH2OSOHOOH
DisulfidePrimary amine

Properties

Molecular formula
C4H14N2O4S3
Molar mass
250.35 g/mol
Exact mass
250.0116 Da
logP
-0.37Crippen estimate
Polar surface area
126.6 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
5

Identifiers

CAS number
16214-16-7
SMILES
NCCSSCCN.O=S(=O)(O)O
InChIKey
XVCYODCCYCPADG-UHFFFAOYSA-N
InChI
InChI=1S/C4H12N2S2.H2O4S/c5-1-3-7-8-4-2-6;1-5(2,3)4/h1-6H2;(H2,1,2,3,4)

Weigh it out

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

Names and synonyms

3 names
  • Ethanamine, 2,2′-dithiobis-, sulfate (1:?)
  • Ethylamine, 2,2′-dithiobis-, sulfate
  • Ethanamine, 2,2′-dithiobis-, sulfate

Work with Cystamine 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

Cystamine dihydrochloride56-17-748 % similar Hydrazine sulfate10034-93-245 % similar Sulfuric acid7664-93-945 % similar Hydroxylammonium sulfate10039-54-042 % similar Aminoacetonitrile bisulfate151-63-341 % similar Glycinonitrile sulfate (2:1)5466-22-841 % similar Rhodium sulfate10489-46-039 % similar Palladium sulfate (pdso4)13566-03-539 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook