Sertaconazole
Properties
- Molecular formula
- C20H15Cl3N2OS
- Molar mass
- 437.76 g/mol
- Exact mass
- 435.9971 Da
- Melting point
- 146–147 °C
- logP
- 7.02Crippen estimate
- Polar surface area
- 27.1 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 6
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
99592-32-2SMILES
Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1InChIKey
JLGKQTAYUIMGRK-UHFFFAOYSA-NInChI
InChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- 1H-Imidazole, 1-[2-[(7-chlorobenzo[b]thien-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-
- 1-[2-[(7-Chlorobenzo[b]thien-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
- FI 7045
Work with Sertaconazole
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Miconazole22916-47-873 % similar
Tioconazole65899-73-269 % similar
Isoconazole27523-40-669 % similar
Econazole27220-47-966 % similar
Miconazole nitrate22832-87-760 % similar
Fenticonazole72479-26-660 % similar
Enilconazole35554-44-059 % similar
Isoconazole nitrate24168-96-557 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.