chempirical

5,5′-Dithiobis[1-phenyl-1H-tetrazole]

C14H10N8S2CAS 5117-07-7354.41 g/mol

Open in Covalent MOL file
NNNNSSNNNN
Disulfide

Properties

Molecular formula
C14H10N8S2
Molar mass
354.41 g/mol
Exact mass
354.0470 Da
Melting point
58–60 °C
logP
2.44Crippen estimate
Polar surface area
87.2 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
5

Identifiers

CAS number
5117-07-7
SMILES
c1ccc(-n2nnnc2SSc2nnnn2-c2ccccc2)cc1
InChIKey
CJXASCLMZSMFTL-UHFFFAOYSA-N
InChI
InChI=1S/C14H10N8S2/c1-3-7-11(8-4-1)21-13(15-17-19-21)23-24-14-16-18-20-22(14)12-9-5-2-6-10-12/h1-10H

Weigh it out

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Names and synonyms

7 names
  • 1H-Tetrazole, 5,5′-dithiobis[1-phenyl-
  • 1H-Tetrazole, 5,5-dithiobis[1-phenyl-
  • Bis(1-phenyl-1H-tetrazol-5-yl) disulfide
  • 5,5′-Dithiobis(1-phenyl-1H-tetrazole)
  • Bis(1-phenyl-5-tetrazolyl) disulfide
  • 1-Phenyl-5-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)disulfanyl]-1H-1,2,3,4-tetrazole
  • 1-Phenyl-5-[(1-phenyltetrazol-5-yl)disulfanyl]tetrazole

Work with 5,5′-Dithiobis[1-phenyl-1H-tetrazole]

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

5-Chloro-1-phenyl-1H-tetrazole14210-25-455 % similar 1-Phenyl-5-mercaptotetrazole86-93-155 % similar 4-Phenyl-1,2,4-triazolidine-3,5-dione15988-11-138 % similar 1,2-Dihydro-1-(4-hydroxyphenyl)-5H-tetrazole-5-thione52431-78-434 % similar 1,3-Diphenyl-1H-pyrazol-5-amine5356-71-834 % similar 3,5-Dimethyl-1-phenylpyrazole1131-16-432 % similar 5-Chloro-3-methyl-1-phenyl-1H-pyrazole1131-17-532 % similar (1-Phenyl-1H-1,2,3-triazol-4-yl)methanol103755-58-431 % similar

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

Elsewhere

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