chempirical

Amino-3H-1,2,4-dithiazole-3-thione

C2H2N2S3CAS 6846-35-1150.23 g/mol

Open in Covalent MOL file
HNNSHSS
Thiol

Properties

Molecular formula
C2H2N2S3
Molar mass
150.23 g/mol
Exact mass
149.9380 Da
logP
0.97Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
0

Identifiers

CAS number
6846-35-1
SMILES
N=c1nc(S)ss1
InChIKey
YWZHEXZIISFIDA-UHFFFAOYSA-N
InChI
InChI=1S/C2H2N2S3/c3-1-4-2(5)7-6-1/h(H2,3,4,5)

Weigh it out

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

Names and synonyms

14 names · show all
  • 3H-1,2,4-Dithiazole-3-thione, amino-
  • 3H-1,2,4-Dithiazole-3-thione, 5-amino-
  • 1,2,4-Dithiazolidine-3-thione, 5-imino-
  • Isoperthiocyanic acid
  • Xanthanohydrogen
  • 5-Imino-1,2,4-dithiazolidine-3-thione
  • 5-Imino-1,2,4-dithiazolidin-3-thione
  • Xanthane hydride
  • 5-Imino-3-thio-1,2,4-dithiazolidine
  • 5-Amino-1,2,4-dithiazole-3-thione
  • 5-Amino-3H-1,2,4-dithiazole-3-thione
  • NSC 65248
  • 3-Amino-1,2,4-dithiazol-5-thione
  • 3-Imino-3H-1,2,4-dithiazole-5-thiol

Work with Amino-3H-1,2,4-dithiazole-3-thione

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

2-Amino-5-mercapto-1,3,4-thiadiazole2349-67-931 % similar

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

Same formula

2,5-Dimercapto-1,3,4-thiadiazole1072-71-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook