chempirical

3-Amino-5-mercapto-1,2,4-triazole

C2H4N4SCAS 16691-43-3116.14 g/mol

Open in Covalent MOL file
HNNSHNHHN
Thiol

Properties

Molecular formula
C2H4N4S
Molar mass
116.14 g/mol
Exact mass
116.0157 Da
Melting point
303 °C
logP
-0.49Crippen estimate
Polar surface area
68.3 Ų
H-bond donors / acceptors
4 / 3
Rotatable bonds
0

Identifiers

CAS number
16691-43-3
SMILES
N=c1nc(S)[nH][nH]1
InChIKey
WZUUZPAYWFIBDF-UHFFFAOYSA-N
InChI
InChI=1S/C2H4N4S/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)

Weigh it out

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

Names and synonyms

22 names · show all
  • 3H-1,2,4-Triazole-3-thione, 5-amino-1,2-dihydro-
  • s-Triazole-3-thiol, 5-amino-
  • 1,2,4-Triazolidine-3-thione, 5-imino-
  • 5-Amino-1,2-dihydro-3H-1,2,4-triazole-3-thione
  • Iminothiourazole
  • 4H-3-Amino-5-mercapto-1,2,4-triazole
  • ENT 61388
  • 3-Imino-5-thiourazole
  • 3-Amino-5-mercapto-s-triazole
  • 5-Amino-3-mercapto-1,2,4-triazole
  • 3-Thio-5-amino-1,2,4-triazole
  • 2-Amino-5-mercapto-1,3,4-triazole
  • 3-Amino-1H-1,2,4-triazole-5-thiol
  • 3-Mercapto-5-amino-1,2,4-triazole
  • NSC 145149
  • NSC 34807
  • 5-Amino-4H-1,2,4-triazole-3-thiol
  • 5-Amino-1H-[1,2,4]triazole-3-thiol
  • 5-Mercapto-3-amino-1,2,4-Triazole
  • 5-Mercapto-1,2,4-triazol-3-amine
  • p-AMTa
  • ASTA-P

Work with 3-Amino-5-mercapto-1,2,4-triazole

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-1,3,5-triazine-4,6-dithiol2770-75-440 % similar 5-(Methylthio)-1H-1,2,4-triazol-3-amine45534-08-539 % similar 8-Mercaptoguanine28128-40-735 % similar 4,6-Diamino-2-mercaptopyrimidine1004-39-331 % similar 5-Aminotetrazole4418-61-531 % similar 2,6-Diamino-4(3H)-pyrimidinethione56-08-630 % similar

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

Same formula

5-Mercapto-1-methyltetrazole13183-79-4 1,3,4-Thiadiazole-2,5-diamine2937-81-7 5-Methylthio-1H-tetrazole29515-99-9

Elsewhere

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