chempirical

S-(2-Aminoethyl)isothiuronium bromide hydrobromide

C3H11Br2N3SCAS 56-10-0281.01 g/mol

Open in Covalent MOL file
HBrHBrNHH2NSNH2
Primary amineSulfide

Properties

Molecular formula
C3H11Br2N3S
Molar mass
281.01 g/mol
Exact mass
278.9040 Da
Density
1.94 g/mL
Melting point
181–182 °C
logP
0.73Crippen estimate
Polar surface area
75.9 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
2

Identifiers

CAS number
56-10-0
SMILES
Br.Br.N=C(N)SCCN
InChIKey
XDVMCVGTDUKDHL-UHFFFAOYSA-N
InChI
InChI=1S/C3H9N3S.2BrH/c4-1-2-7-3(5)6;;/h1-2,4H2,(H3,5,6);2*1H

Weigh it out

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

Names and synonyms

13 names · show all
  • Carbamimidothioic acid, 2-aminoethyl ester, hydrobromide (1:2)
  • Pseudourea, 2-(2-aminoethyl)-2-thio-, dihydrobromide
  • Carbamimidothioic acid, 2-aminoethyl ester, dihydrobromide
  • S-(β-Aminoethyl)isothiuronium bromide hydrobromide
  • 2-(2-Aminoethyl)-2-thiopseudourea hydrobromide
  • Antiradon
  • Surrectan
  • 2-(β-Aminoethyl)isothiuronium bromide hydrobromide
  • AET
  • 2-(2-Aminoethyl)-2-thiopseudourea dihydrobromide
  • NSC 22877
  • Ixecur
  • 2-(2-Aminoethyl)isothiourea dihydrobromide

Work with S-(2-Aminoethyl)isothiuronium bromide hydrobromide

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

S-Ethylthiuronium bromide1071-37-052 % similar 3-[(Aminoiminomethyl)thio]propanoic acid5398-29-844 % similar 2-S-Thiuronium ethanesulfonate108710-70-942 % similar 2-[(Aminoiminomethyl)thio]ethanesulfonic acid25985-57-342 % similar 3-[(Aminoiminomethyl)thio]-1-propanesulfonic acid21668-81-540 % similar 2-Aminoacetamidine dihydrobromide69816-37-136 % similar 1,1′-Dithiodiformamidine hydrochloride14807-75-133 % similar Methylisothiourea2986-19-833 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia