chempirical

4,5-Diphenyl-2(3H)-oxazolethione

C15H11NOSCAS 6670-13-9253.32 g/mol

Open in Covalent MOL file
HSNO
Thiol

Properties

Molecular formula
C15H11NOS
Molar mass
253.32 g/mol
Exact mass
253.0561 Da
Melting point
260 °C
logP
4.30Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
6670-13-9
SMILES
Sc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIKey
NYQSTRUSYDZNHC-UHFFFAOYSA-N
InChI
InChI=1S/C15H11NOS/c18-15-16-13(11-7-3-1-4-8-11)14(17-15)12-9-5-2-6-10-12/h1-10H,(H,16,18)

Weigh it out

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

Names and synonyms

7 names
  • 2(3H)-Oxazolethione, 4,5-diphenyl-
  • 4-Oxazoline-2-thione, 4,5-diphenyl-
  • 4,5-Diphenyl-δ4-oxazoline-2-thione
  • 4,5-Diphenyl-4-oxazoline-2-thione
  • 4,5-Diphenyl-2-mercaptooxazole
  • 4,5-Diphenyl-1,3-isoxazole-2-thiol
  • 2-Mercapto-4,5-diphenyloxazole

Work with 4,5-Diphenyl-2(3H)-oxazolethione

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-Phenyl-1,3,4-oxadiazole-2-thiol3004-42-045 % similar 2-Mercaptobenzoxazole2382-96-942 % similar Oxaprozin21256-18-842 % similar 2,3-Diphenylquinoxaline1684-14-640 % similar 1,3-Diphenylisobenzofuran5471-63-640 % similar 4,5-Diphenyl-2-imidazolethiol2349-58-839 % similar Dimethyl-popop3073-87-838 % similar 4,5-Diphenyl-1,3-dioxol-2-one21240-34-638 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook