chempirical

Dithiobiuret

C2H5N3S2CAS 541-53-7135.20 g/mol

Open in Covalent MOL file
NHHSNHNHSH
Thiol

Properties

Molecular formula
C2H5N3S2
Molar mass
135.20 g/mol
Exact mass
134.9925 Da
Melting point
181 °C (decomposes)
logP
0.31Crippen estimate
Polar surface area
59.7 Ų
H-bond donors / acceptors
5 / 2
Rotatable bonds
0

Identifiers

CAS number
541-53-7
SMILES
N=C(S)NC(=N)S
InChIKey
JIRRNZWTWJGJCT-UHFFFAOYSA-N
InChI
InChI=1S/C2H5N3S2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)

Weigh it out

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

Names and synonyms

10 names
  • Thioimidodicarbonic diamide ([(H2N)C(S)]2NH)
  • Biuret, dithio-
  • Biuret, 2,4-dithio-
  • Allophanimidic acid, dithio-
  • 2,4-Dithiobiuret
  • Imidodicarbonimidothioic diamide
  • Imidodicarbonodithioic diamide
  • NSC 7761
  • Dicarbonodithioimidic diamide
  • (Carbamothioylamino)methanethioamide

Work with Dithiobiuret

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

Dithiourea142-46-160 % similar Amidinothiourea2114-02-558 % similar Methylthiourea598-52-750 % similar Thiosemicarbazide79-19-650 % similar N-(1-Methylethyl)thiourea1719-76-245 % similar Thiosemicarbazide hydrochloride4346-94-543 % similar Ethylthiourea625-53-643 % similar N-(1,1-Dimethylethyl)thiourea7204-48-043 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia