chempirical

1-[2-(Dimethylamino)ethyl]-1,2-dihydro-5H-tetrazole-5-thione

C5H11N5SCAS 61607-68-9173.24 g/mol

Open in Covalent MOL file
NNNNNHS
Tertiary amineThiol

Properties

Molecular formula
C5H11N5S
Molar mass
173.24 g/mol
Exact mass
173.0735 Da
logP
-0.48Crippen estimate
Polar surface area
46.8 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
3

Identifiers

CAS number
61607-68-9
SMILES
CN(C)CCn1nnnc1S
InChIKey
ODDAWJGQWOGBCX-UHFFFAOYSA-N
InChI
InChI=1S/C5H11N5S/c1-9(2)3-4-10-5(11)6-7-8-10/h3-4H2,1-2H3,(H,6,8,11)

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

Names and synonyms

9 names
  • 1-(2-N,N-Dimethylaminoethyl)-5-mercaptotetrazole
  • 5H-Tetrazole-5-thione, 1-[2-(dimethylamino)ethyl]-1,2-dihydro-
  • 5-Mercapto-1-(2-dimethylaminoethyl)-1H-tetrazole
  • 1-(2-Dimethylaminoethyl)-5-mercapto-1H-tetrazole
  • 1-[2-(Dimethylamino)ethyl]-5-mercaptotetrazole
  • 1-[2-(Dimethylamino)ethyl]-1H-tetrazole-5-thiol
  • 1-[2-(N,N-Dimethylamino)ethyl]-5-mercapto-1H-tetrazole
  • 1-[2-(Dimethylamino)ethyl]-2H-tetrazole-5-thione
  • 1-[2-(Dimethylamino)ethyl]-1H-1,2,3,4-tetrazole-5-thiol

Work with 1-[2-(Dimethylamino)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-thione56610-81-255 % similar 1-Ethyl-1,2-dihydro-5H-tetrazole-5-thione15217-53-553 % similar 5-Mercapto-1-methyltetrazole13183-79-444 % similar 2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid57658-36-341 % similar 2,5-Dihydro-5-thioxo-1H-tetrazole-1-methanesulfonic acid67146-22-941 % similar 1H-Tetrazole-1-methanesulfonic acid, 2,5-dihydro-5-thioxo-, sodium salt (1:2)66242-82-838 % similar 1-Phenyl-5-mercaptotetrazole86-93-131 % similar

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

Elsewhere

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