chempirical

2,5-Dihydro-5-thioxo-1H-tetrazole-1-methanesulfonic acid

C2H4N4O3S2CAS 67146-22-9196.20 g/mol

Open in Covalent MOL file
OSOHONNNNHS
Sulfonic acidThiol

Properties

Molecular formula
C2H4N4O3S2
Molar mass
196.20 g/mol
Exact mass
195.9725 Da
logP
-1.19Crippen estimate
Polar surface area
98.0 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
2

Identifiers

CAS number
67146-22-9
SMILES
O=S(=O)(O)Cn1nnnc1S
InChIKey
NLDLXEAUMGUSPX-UHFFFAOYSA-N
InChI
InChI=1S/C2H4N4O3S2/c7-11(8,9)1-6-2(10)3-4-5-6/h1H2,(H,3,5,10)(H,7,8,9)

Weigh it out

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

Names and synonyms

4 names
  • 1H-Tetrazole-1-methanesulfonic acid, 2,5-dihydro-5-thioxo-
  • 5-Mercapto-1-tetrazolemethanesulfonic acid
  • 1-Sulfomethyl-5-mercapto-1,2,3,4-tetrazole
  • (5-Sulfanyl-1H-1,2,3,4-tetrazol-1-yl)methanesulfonic acid

Work with 2,5-Dihydro-5-thioxo-1H-tetrazole-1-methanesulfonic acid

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

1H-Tetrazole-1-methanesulfonic acid, 2,5-dihydro-5-thioxo-, sodium salt (1:2)66242-82-890 % similar 1,2-Dihydro-1-(2-hydroxyethyl)-5H-tetrazole-5-thione56610-81-249 % similar 2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid57658-36-347 % similar 1-Ethyl-1,2-dihydro-5H-tetrazole-5-thione15217-53-547 % similar 1-[2-(Dimethylamino)ethyl]-1,2-dihydro-5H-tetrazole-5-thione61607-68-941 % similar 5-Mercapto-1-methyltetrazole13183-79-434 % similar 1,2-Dihydro-1-(4-hydroxyphenyl)-5H-tetrazole-5-thione52431-78-431 % similar 1-Phenyl-5-mercaptotetrazole86-93-130 % similar

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

Elsewhere

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