(5Z)-3-Cyclopentyl-5-{[3-(3-fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-YL]methylene}-2-thioxo-1,3-thiazolidin-4-one

https://huagongshe.com/de/chemical/5826257

Identifikatoren & physikalische Daten

CAS No.	623939-71-9
Summenformel	C27H26FN3O2S2
Durchschnittliche Molmasse	507,6 g/mol
Monoisotopische Masse	507,14504759 g/mol
SMILES	CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCC3)C2=O)cc1F
InChIKey	SPZJYGZEFOMHMY-JLPGSUDCSA-N
PubChem CID	5826257
EC No.	644-590-3

Chemische & physikalische Eigenschaften

XLogP	6,8
Polarare Oberfläche (TPSA)	105
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	6
Frei drehbare Bindungen	7
Schwere Atome	35
Formalladung	0
Komplexität	799

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)

GHS-Einstufung

WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Skin Irrit. 2 (100%)