chempirical

1-Phenyl-5-mercaptotetrazole

C7H6N4SCAS 86-93-1178.21 g/mol

Open in Covalent MOL file
SHNNNN
Thiol

Properties

Molecular formula
C7H6N4S
Molar mass
178.21 g/mol
Exact mass
178.0313 Da
Melting point
152 °C
logP
0.95Crippen estimate
Polar surface area
43.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
86-93-1
SMILES
Sc1nnnn1-c1ccccc1
InChIKey
GGZHVNZHFYCSEV-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N4S/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h1-5H,(H,8,10,12)

Weigh it out

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

Names and synonyms

31 names · show all
  • 5H-Tetrazole-5-thione, 1,2-dihydro-1-phenyl-
  • 1H-Tetrazole-5-thiol, 1-phenyl-
  • 2-Tetrazoline-5-thione, 1-phenyl-
  • 1,2,3,4-Tetrazole-5-thiol, 1-phenyl-
  • 1,2-Dihydro-1-phenyl-5H-tetrazole-5-thione
  • 5-Mercapto-1-phenyltetrazole
  • 1-Phenyl-5-mercapto-1,2,3,4-tetrazole
  • Mercaptophenyltetrazole
  • 1-Phenyltetrazole-5-thiol
  • 5-Mercapto-1-phenyl-1H-tetrazole
  • 1-Phenyl-2-tetrazoline-5-thione
  • 1-Phenyltetrazoline-5-thione
  • 5-Mercapto-1-phenyl-1,2,3,4-tetrazole
  • 1-Phenyl-5-tetrazolethione
  • 1-Phenyl-1,2-tetrazoline-5-thione
  • 1-Phenyl-1H-tetrazole-5-thiol
  • 1-Phenyl-5-mercapto-1H-tetrazole
  • 1-Phenyl-5-thioxo-4,5-dihydrotetrazole
  • 1-Phenyl-1H-tetrazol-5-thiol
  • 1-Phenyl-1H-tetrazole-5-thione
  • 1-Phenyl-2H-tetrazole-5-thione
  • NSC 24018
  • NSC 44916
  • NSC 67819
  • (1-Phenyltetrazol-5-yl)mercaptan
  • 1-Phenyl-4,5-dihydrotetrazole-5-thione
  • 1-Phenyl-5-thio-1,2,3,4-tetrazole
  • 5-Sulfanyl-1-phenyl-1H-tetrazole
  • 1-Phenyl-1H-1,2,3,4-tetrazole-5-thiol
  • 1-Phenyl-1H-1,2,3,4-tetraazole-5-thiol
  • 1-Phenyl-1H-tetraazole-5-thiol

Work with 1-Phenyl-5-mercaptotetrazole

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-(4-hydroxyphenyl)-5H-tetrazole-5-thione52431-78-465 % similar 5-Chloro-1-phenyl-1H-tetrazole14210-25-455 % similar 5,5′-Dithiobis[1-phenyl-1H-tetrazole]5117-07-755 % similar 4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzoic acid23249-95-854 % similar N-[3-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]acetamide14070-48-550 % similar 1,3-Dihydro-1-phenyl-2H-imidazole-2-thione17452-09-441 % similar 5-Mercapto-1-methyltetrazole13183-79-439 % similar 4-Phenyl-1,2,4-triazolidine-3,5-dione15988-11-138 % similar

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

Same formula

Thiocarbonyldiimidazole6160-65-2

Elsewhere

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