chempirical

5-(Methylthio)-1,3,4-thiadiazol-2-amine

C3H5N3S2CAS 5319-77-7147.21 g/mol

Open in Covalent MOL file
SNNHNHS
Sulfide

Properties

Molecular formula
C3H5N3S2
Molar mass
147.21 g/mol
Exact mass
146.9925 Da
Melting point
177–178 °C
logP
0.67Crippen estimate
Polar surface area
52.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Identifiers

CAS number
5319-77-7
SMILES
CSc1n[nH]c(=N)s1
InChIKey
PCLAZAJARAIGGD-UHFFFAOYSA-N
InChI
InChI=1S/C3H5N3S2/c1-7-3-6-5-2(4)8-3/h1H3,(H2,4,5)

Weigh it out

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

Names and synonyms

11 names
  • 1,3,4-Thiadiazol-2-amine, 5-(methylthio)-
  • 1,3,4-Thiadiazole, 2-amino-5-(methylthio)-
  • 2-Amino-5-(methylthio)-1,3,4-thiadiazole
  • 2-Amino-5-methylthio-1,2,4-thiadiazol
  • 2-Amino-5-methylmercapto-1,3,4-thiadiazole
  • 5-(Methylthio)-2-amino-1,3,4-thiadiazole
  • 5-Amino-2-(methylthio)-1,3,4-thiadiazole
  • NSC 67524
  • 5-(Methylthio)-[1,3,4]thiadiazol-2-amine
  • 2-Amino-5-(methylthio)thiadiazole
  • 2-Amino-5-methylthio-1,3,4-thiadiazol

Work with 5-(Methylthio)-1,3,4-thiadiazol-2-amine

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

5-(Ethylthio)-1,3,4-thiadiazol-2-amine25660-70-258 % similar 2-Amino-5-methyl-1,3,4-thiadiazole108-33-848 % similar 5-[(Phenylmethyl)thio]-1,3,4-thiadiazol-2-amine25660-71-346 % similar 5-(Trifluoromethyl)-1,3,4-thiadiazol-2-amine10444-89-044 % similar 2-Amino-5-ethyl-1,3,4-thiadiazole14068-53-244 % similar 5-(1,1-Dimethylethyl)-1,3,4-thiadiazol-2-amine39222-73-644 % similar 2-Amino-5-mercapto-1,3,4-thiadiazole2349-67-943 % similar 5-Methylthio-1,3,4-thiadiazole-2-thiol6264-40-033 % similar

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

Elsewhere

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