chempirical

1-Ethyl-1,2-dihydro-5H-tetrazole-5-thione

C3H6N4SCAS 15217-53-5130.17 g/mol

Open in Covalent MOL file
NNNNHS
Thiol

Properties

Molecular formula
C3H6N4S
Molar mass
130.17 g/mol
Exact mass
130.0313 Da
Boiling point
109 °C (at 1 Torr)
logP
-0.02Crippen estimate
Polar surface area
43.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
15217-53-5
SMILES
CCn1nnnc1S
InChIKey
JLQLTELAOKOFBV-UHFFFAOYSA-N
InChI
InChI=1S/C3H6N4S/c1-2-7-3(8)4-5-6-7/h2H2,1H3,(H,4,6,8)

Weigh it out

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

Names and synonyms

10 names
  • 5H-Tetrazole-5-thione, 1-ethyl-1,2-dihydro-
  • 1H-Tetrazole-5-thiol, 1-ethyl-
  • 2-Tetrazoline-5-thione, 1-ethyl-
  • 1-Ethyl-5-mercapto-1,2,3,4-tetrazole
  • 1-Ethyl-2-tetrazoline-5-thione
  • 1-Ethyl-1H-tetrazole-5-thiol
  • 1-Ethyl-5-tetrazolethiol
  • 1-Ethyl-5-mercaptotetrazole
  • 1-Ethyltetrazole-5-thione
  • 1-Ethyl-1H-1,2,3,4-tetrazole-5-thiol

Work with 1-Ethyl-1,2-dihydro-5H-tetrazole-5-thione

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

1,2-Dihydro-1-(2-hydroxyethyl)-5H-tetrazole-5-thione56610-81-253 % similar 1-[2-(Dimethylamino)ethyl]-1,2-dihydro-5H-tetrazole-5-thione61607-68-953 % similar 2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid57658-36-347 % similar 2,5-Dihydro-5-thioxo-1H-tetrazole-1-methanesulfonic acid67146-22-947 % similar 5-Mercapto-1-methyltetrazole13183-79-446 % similar 1H-Tetrazole-1-methanesulfonic acid, 2,5-dihydro-5-thioxo-, sodium salt (1:2)66242-82-843 % similar 1-Phenyl-5-mercaptotetrazole86-93-135 % similar 1,2-Dihydro-1-(4-hydroxyphenyl)-5H-tetrazole-5-thione52431-78-432 % similar

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

Same formula

5-(Methylthio)-1H-1,2,4-triazol-3-amine45534-08-5 5-Ethylthio-1H-tetrazole89797-68-2

Elsewhere

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