chempirical

S-Ethylthiuronium bromide

C3H9BrN2SCAS 1071-37-0185.08 g/mol

Open in Covalent MOL file
HBrSNHNH2
Sulfide

Properties

Molecular formula
C3H9BrN2S
Molar mass
185.08 g/mol
Exact mass
183.9670 Da
Melting point
85–87 °C
logP
1.21Crippen estimate
Polar surface area
49.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
1071-37-0
SMILES
Br.CCSC(=N)N
InChIKey
SWXXKWPYNMZFTE-UHFFFAOYSA-N
InChI
InChI=1S/C3H8N2S.BrH/c1-2-6-3(4)5;/h2H2,1H3,(H3,4,5);1H

Weigh it out

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

Names and synonyms

19 names · show all
  • Carbamimidothioic acid, ethyl ester, hydrobromide (1:1)
  • Pseudourea, 2-ethyl-2-thio-, monohydrobromide
  • Carbamimidothioic acid, ethyl ester, monohydrobromide
  • Pseudourea, 2-ethyl-2-thio-, hydrobromide
  • Ethiron
  • WR 539
  • S-Ethylisothiouronium hydrobromide
  • 2-Ethyl-2-thiopseudourea hydrobromide
  • Ethiron bromide
  • S-Ethylisothiuronium bromide
  • 2-Ethylisothiourea hydrobromide
  • Etiron
  • S-Ethylisothiourea hydrobromide
  • Isothuron hydrobromide
  • Isothurone hydrobromide
  • Ethyl imidothiocarbamate hydrobromide
  • Ethylisothiourea hydrobromide
  • (Ethylsulfanyl)(imino)methanaminium bromide
  • (Ethylsulfanyl)methanimidamide hydrobromide

Work with S-Ethylthiuronium bromide

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-(2-Aminoethyl)isothiuronium bromide hydrobromide56-10-052 % similar Methylisothiourea2986-19-840 % similar 2-Aminoacetamidine dihydrobromide69816-37-137 % similar 3-[(Aminoiminomethyl)thio]propanoic acid5398-29-836 % similar 2-S-Thiuronium ethanesulfonate108710-70-935 % similar 2-[(Aminoiminomethyl)thio]ethanesulfonic acid25985-57-335 % similar 1,1′-Dithiodiformamidine hydrochloride14807-75-135 % similar Benzylisothiourea hydrochloride538-28-334 % similar

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

Elsewhere

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