5-Ethylthio-1H-tetrazole

C₃H₆N₄SCAS 89797-68-2130.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₆N₄S
Molar mass: 130.17 g/mol
Exact mass: 130.0313 Da
logP: 0.31Crippen estimate
Polar surface area: 54.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Identifiers

CAS number

89797-68-2

SMILES

CCSc1nn[nH]n1

InChIKey

GONFBOIJNUKKST-UHFFFAOYSA-N

InChI

InChI=1S/C3H6N4S/c1-2-8-3-4-6-7-5-3/h2H2,1H3,(H,4,5,6,7)

Weigh it out

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

Names and synonyms

4 names

2H-Tetrazole, 5-(ethylthio)-
Tetrazole, 5-(ethylthio)-
1H-Tetrazole, 5-(ethylthio)-
5-(Ethylthio)-2H-tetrazole

Work with 5-Ethylthio-1H-tetrazole

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-1H-tetrazole29515-99-952 % similar 5-Benzylthio-1H-tetrazole21871-47-648 % similar 5-Methyl-2H-tetrazole4076-36-236 % similar 5-(Ethylthio)-1,3,4-thiadiazol-2-amine25660-70-233 % similar Ethyl phenyl sulfide622-38-833 % similar 5-(2-Chloroethyl)-2H-tetrazole18755-46-930 % similar

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

Same formula

1-Ethyl-1,2-dihydro-5H-tetrazole-5-thione15217-53-5 5-(Methylthio)-1H-1,2,4-triazol-3-amine45534-08-5

Elsewhere

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