chempirical

Dithiourea

C2H6N4S2CAS 142-46-1150.22 g/mol

Open in Covalent MOL file
NHHSNHNHNHSH
Thiol

Properties

Molecular formula
C2H6N4S2
Molar mass
150.22 g/mol
Exact mass
150.0034 Da
Melting point
233 °C
logP
-0.19Crippen estimate
Polar surface area
71.8 Ų
H-bond donors / acceptors
6 / 2
Rotatable bonds
0

Identifiers

CAS number
142-46-1
SMILES
N=C(S)NNC(=N)S
InChIKey
KCOYHFNCTWXETP-UHFFFAOYSA-N
InChI
InChI=1S/C2H6N4S2/c3-1(7)5-6-2(4)8/h(H3,3,5,7)(H3,4,6,8)

Weigh it out

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

Names and synonyms

11 names
  • 1,2-Hydrazinedicarbothioamide
  • Biurea, 2,5-dithio-
  • Bithiourea
  • Dithiobiurea
  • 2,5-Dithiodiurea
  • Dithiocarbamoylhydrazine
  • 2,5-Dithiobiurea
  • 1,2-Dithiocarbamoylhydrazine
  • 1,2-Bis(thiocarbamoyl)hydrazine
  • NSC 3511
  • (Carbamothioylamino)thiourea

Work with Dithiourea

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

Dithiobiuret541-53-760 % similar Methylthiourea598-52-750 % similar Thiosemicarbazide79-19-650 % similar Phenylthiosemicarbazide645-48-746 % similar N-(1-Methylethyl)thiourea1719-76-245 % similar Amidinothiourea2114-02-543 % similar Thiosemicarbazide hydrochloride4346-94-543 % similar Ethylthiourea625-53-643 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook