chempirical

5-Mercapto-1-methyltetrazole

C2H4N4SCAS 13183-79-4116.14 g/mol

Open in Covalent MOL file
NNNNHS
Thiol

Properties

Molecular formula
C2H4N4S
Molar mass
116.14 g/mol
Exact mass
116.0157 Da
Melting point
126 °C
logP
-0.50Crippen estimate
Polar surface area
43.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
0

Identifiers

CAS number
13183-79-4
SMILES
Cn1nnnc1S
InChIKey
XOHZHMUQBFJTNH-UHFFFAOYSA-N
InChI
InChI=1S/C2H4N4S/c1-6-2(7)3-4-5-6/h1H3,(H,3,5,7)

Weigh it out

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

Names and synonyms

25 names · show all
  • 5H-Tetrazole-5-thione, 1,2-dihydro-1-methyl-
  • 1H-Tetrazole-5-thiol, 1-methyl-
  • 2-Tetrazoline-5-thione, 1-methyl-
  • 1,2,3,4-Tetrazole-5-thiol, 1-methyl-
  • 1,2-Dihydro-1-methyl-5H-tetrazole-5-thione
  • 1-Methyl-5-mercapto-1,2,3,4-tetrazole
  • 1-Methyltetrazole-5-thiol
  • 1-Methyl-5-mercaptotetrazole
  • 1-Methyl-5-tetrazolethione
  • 1-Methyl-1H-tetrazole-5-thiol
  • 1-Methyl-1,2,3,4-tetrazole-5-thiol
  • 5-Mercapto-1-methyl-1,2,3,4-tetrazole
  • 5-Mercapto-1-methyl-1H-tetrazole
  • 1-Methyl-5-tetrazolinethione
  • 1-Methyl-1,2,3,4-tetrazoline-5-thione
  • 1-Methyl-5-mercapto-1H-tetrazole
  • T 1982F
  • 1-Methyl-1H-tetrazol-5-thiol
  • 1-Methyl-5-thiotetrazole
  • N-Methyl-5-tetrazolethiol
  • NSC 520787
  • [1-Methyl-1H-1H-tetrazol-5-yl]thiol
  • 1-Methyl-1H-1,2,3,4-tetrazole-5-thiol
  • 1-Methyl-2,5-dihydro-1H-1,2,3,4-tetrazole-5-thione
  • 1-Methyl-2H-tetrazole-5-thione

Work with 5-Mercapto-1-methyltetrazole

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-Ethyl-1,2-dihydro-5H-tetrazole-5-thione15217-53-546 % similar 1-[2-(Dimethylamino)ethyl]-1,2-dihydro-5H-tetrazole-5-thione61607-68-944 % similar 1,2-Dihydro-1-(2-hydroxyethyl)-5H-tetrazole-5-thione56610-81-239 % similar 1-Phenyl-5-mercaptotetrazole86-93-139 % similar 1,2-Dihydro-1-(4-hydroxyphenyl)-5H-tetrazole-5-thione52431-78-435 % similar 4-Methyl-4H-1,2,4-triazole-3-thiol24854-43-134 % similar 2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid57658-36-334 % similar 2,5-Dihydro-5-thioxo-1H-tetrazole-1-methanesulfonic acid67146-22-934 % similar

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

Same formula

3-Amino-5-mercapto-1,2,4-triazole16691-43-3 1,3,4-Thiadiazole-2,5-diamine2937-81-7 5-Methylthio-1H-tetrazole29515-99-9

Elsewhere

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