chempirical

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

C4H7N3S2CAS 25660-70-2161.24 g/mol

Open in Covalent MOL file
SNNHNHS
Sulfide

Properties

Molecular formula
C4H7N3S2
Molar mass
161.24 g/mol
Exact mass
161.0081 Da
Melting point
136–137 °C
logP
1.06Crippen estimate
Polar surface area
52.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
25660-70-2
SMILES
CCSc1n[nH]c(=N)s1
InChIKey
VWRHSNKTSSIMGE-UHFFFAOYSA-N
InChI
InChI=1S/C4H7N3S2/c1-2-8-4-7-6-3(5)9-4/h2H2,1H3,(H2,5,6)

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

Names and synonyms

6 names
  • 1,3,4-Thiadiazol-2-amine, 5-(ethylthio)-
  • 1,3,4-Thiadiazole, 2-amino-5-(ethylthio)-
  • 2-Amino-5-ethylthio-1,3,4-thiadiazole
  • 5-Amino-2-(ethylthio)-1,3,4-thiadiazole
  • NSC 522480
  • 2-Amino-5-ethylsulfanyl-1,3,4-thiadiazole

Work with 5-(Ethylthio)-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-(Methylthio)-1,3,4-thiadiazol-2-amine5319-77-758 % similar 5-[(Phenylmethyl)thio]-1,3,4-thiadiazol-2-amine25660-71-354 % similar 2-Amino-5-ethyl-1,3,4-thiadiazole14068-53-248 % similar 2-Amino-5-methyl-1,3,4-thiadiazole108-33-844 % similar 5-(Trifluoromethyl)-1,3,4-thiadiazol-2-amine10444-89-040 % similar 5-(1,1-Dimethylethyl)-1,3,4-thiadiazol-2-amine39222-73-640 % similar 2-Amino-5-mercapto-1,3,4-thiadiazole2349-67-939 % similar 5-Ethylthio-1H-tetrazole89797-68-233 % similar

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

Elsewhere

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