chempirical

2-Amino-1,3,5-triazine-4,6-dithiol

C3H4N4S2CAS 2770-75-4160.21 g/mol

Open in Covalent MOL file
NHNSHNHHSN
Thiol

Properties

Molecular formula
C3H4N4S2
Molar mass
160.21 g/mol
Exact mass
159.9877 Da
Density
1.6815 g/mL (at 20 °C)
logP
-0.14Crippen estimate
Polar surface area
65.4 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
0

Identifiers

CAS number
2770-75-4
SMILES
N=c1nc(S)[nH]c(S)n1
InChIKey
QQLZTRHXUSFZOM-UHFFFAOYSA-N
InChI
InChI=1S/C3H4N4S2/c4-1-5-2(8)7-3(9)6-1/h(H4,4,5,6,7,8,9)

Weigh it out

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

Names and synonyms

8 names
  • 1,3,5-Triazine-2,4(1H,3H)-dithione, 6-amino-
  • s-Triazine-2,4-dithiol, 6-amino-
  • Ammelide, dithio-
  • 6-Amino-1,3,5-triazine-2,4(1H,3H)-dithione
  • Dithioammelide
  • 2-Amino-4,6-dimercapto-s-triazine
  • NSC 8147
  • 6-Amino-1,3,5-triazine-2,4-dithiol

Work with 2-Amino-1,3,5-triazine-4,6-dithiol

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

Ammelide645-93-242 % similar 4,6-Diamino-2-mercaptopyrimidine1004-39-341 % similar 3-Amino-5-mercapto-1,2,4-triazole16691-43-340 % similar 8-Mercaptoguanine28128-40-736 % similar 2-Thiocytosine333-49-334 % similar Mercaptobenzimidazole583-39-134 % similar 4,5-Diphenyl-2-imidazolethiol2349-58-831 % similar 1,2,3,7,8,9-Hexahydro-2,8-dithioxo-6H-purin-6-one15986-32-030 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook