chempirical

Tioconazole

C16H13Cl3N2OSCAS 65899-73-2387.70 g/mol

Open in Covalent MOL file
ClNNOSClCl
Aryl halideEther

Properties

Molecular formula
C16H13Cl3N2OS
Molar mass
387.70 g/mol
Exact mass
385.9814 Da
logP
5.86Crippen estimate
Polar surface area
27.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Identifiers

CAS number
65899-73-2
SMILES
Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1
InChIKey
QXHHHPZILQDDPS-UHFFFAOYSA-N
InChI
InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2

Weigh it out

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

Names and synonyms

13 names · show all
  • 1H-Imidazole, 1-[2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-
  • 1-[2-[(2-Chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
  • (±)-Tioconazole
  • Trosyd
  • Trosyl
  • Gyno-trosyd
  • Vagistat 1
  • Zoniden
  • Vagistat
  • Fungibacid
  • New straitus U
  • 1-[2-[(2-Chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl) ethyl]-1H-imidazole
  • 1-[2-[(2-Chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole

Work with Tioconazole

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

Miconazole22916-47-877 % similar Econazole27220-47-970 % similar Isoconazole27523-40-670 % similar Sertaconazole99592-32-269 % similar Miconazole nitrate22832-87-763 % similar Enilconazole35554-44-062 % similar Fenticonazole72479-26-660 % similar Sertaconazole nitrate99592-39-958 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook