chempirical

5-Phenyl-1,3,4-oxadiazole-2-thiol

C8H6N2OSCAS 3004-42-0178.21 g/mol

Open in Covalent MOL file
HSNNO
Thiol

Properties

Molecular formula
C8H6N2OS
Molar mass
178.21 g/mol
Exact mass
178.0201 Da
Melting point
219–220 °C
logP
2.03Crippen estimate
Polar surface area
38.9 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
3004-42-0
SMILES
Sc1nnc(-c2ccccc2)o1
InChIKey
FOHWXVBZGSVUGO-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2OS/c12-8-10-9-7(11-8)6-4-2-1-3-5-6/h1-5H,(H,10,12)

Weigh it out

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

Names and synonyms

15 names · show all
  • 1,3,4-Oxadiazole-2(3H)-thione, 5-phenyl-
  • 1,3,4-Oxadiazole-2-thiol, 5-phenyl-
  • δ2-1,3,4-Oxadiazoline-5-thione, 2-phenyl-
  • 5-Phenyl-1,3,4-oxadiazole-2(3H)-thione
  • 2-Mercapto-5-phenyl-1,3,4-oxadiazole
  • 5-Phenyl-2-mercapto-1,3,4-oxadiazole
  • 2-Phenyl-5-mercaptooxadiazole
  • 5-Mercapto-2-phenyl-1,3,4-oxadiazole
  • 5-Phenyl-1,3,4-oxadiazole-2-thione
  • 2-Phenyl-1,3,4-oxadiazoline-5-thione
  • 5-Phenyl-2-thioxo-1,3,4-oxadiazoline
  • 2-Phenyl-1,3,4-oxadiazole-5-thione
  • 5-Phenyl-1,3,4-oxadiazole-5-thiol
  • 5-Phenyl-1,3,4-oxadiaole-2-thiol
  • 2-Phenyl-5-mercapto[1,3,4]oxadiazole

Work with 5-Phenyl-1,3,4-oxadiazole-2-thiol

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

2,5-Diphenyl-1,3,4-oxadiazole725-12-267 % similar 2-(4-Biphenylyl)-5-phenyl-1,3,4-oxadiazole852-38-062 % similar Butyl pbd15082-28-746 % similar 4,5-Diphenyl-2(3H)-oxazolethione6670-13-945 % similar 2,5-Diphenyloxazole92-71-741 % similar Popop1806-34-439 % similar 2-Phenylbenzoxazole833-50-139 % similar 2,5-Bis(4-aminophenyl)-1,3,4-oxadiazole2425-95-839 % similar

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

Same formula

2-Mercapto-4(3H)-quinazolinone13906-09-7

Elsewhere

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