chempirical

1,2-Dihydro-1-(4-hydroxyphenyl)-5H-tetrazole-5-thione

C7H6N4OSCAS 52431-78-4194.21 g/mol

Open in Covalent MOL file
HONNNNHS
PhenolThiol

Properties

Molecular formula
C7H6N4OS
Molar mass
194.21 g/mol
Exact mass
194.0262 Da
Melting point
160 °C
logP
0.66Crippen estimate
Polar surface area
63.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
1

Identifiers

CAS number
52431-78-4
SMILES
Oc1ccc(-n2nnnc2S)cc1
InChIKey
MOXZSKYLLSPATM-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N4OS/c12-6-3-1-5(2-4-6)11-7(13)8-9-10-11/h1-4,12H,(H,8,10,13)

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Names and synonyms

9 names
  • 5H-Tetrazole-5-thione, 1,2-dihydro-1-(4-hydroxyphenyl)-
  • ORWO-OB 1209
  • 1-(4-Hydroxyphenyl)-1H-tetrazole-5-thiol
  • 4-(5-Mercaptotetrazol-1-yl)phenol
  • 1-(4-Hydroxyphenyl)-5-mercaptotetrazole
  • 4-Hydroxy-PMT
  • 1-(4-Hydroxyphenyl)-2H-tetrazole-5-thione
  • 1-(4-Hydroxyphenyl)-4,5-dihydro-1H-1,2,3,4-tetrazole-5-thione
  • 4-(5-Sulfanyl-1H-1,2,3,4-tetrazol-1-yl)phenol

Work with 1,2-Dihydro-1-(4-hydroxyphenyl)-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-Phenyl-5-mercaptotetrazole86-93-165 % similar N-[3-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]acetamide14070-48-543 % similar 4-Mercaptophenol637-89-835 % similar 5-Mercapto-1-methyltetrazole13183-79-435 % similar 4-(1H-Imidazol-1-yl)phenol10041-02-834 % similar 5-Chloro-1-phenyl-1H-tetrazole14210-25-434 % similar 5,5′-Dithiobis[1-phenyl-1H-tetrazole]5117-07-734 % similar 1,2-Dihydro-1-(2-hydroxyethyl)-5H-tetrazole-5-thione56610-81-234 % similar

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

Elsewhere

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