(E)-4-[3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]piperazine-1-ethanol
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Product Description
Product
(E)-4-[3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]piperazine-1-ethanol
CAS
53772-85-3
Synonym
(E)-4-[3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]piperazine-1-ethanol; (E)-Flupenthixol; 1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)-, (E)-; beta-flupenthixol; EINECS 258-759-0; TRANS -(E)-FLUPENTHIXOL; trans-(E)-Flupentixol; trans-flupenthixol; trans-flupentixol; UNII-895OJP78MJ; (e)-4-(3-(2-(trifluoromethyl)-9h-thioxanthen-9-ylidene)propyl)-1-piperazinee; (E)-4-(3-(2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)-1-piperazineethanol; (E)-4-(3-(2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)piperazine-1-ethanol
Typical Product Specifications
Molecular weight
434.52
EINECS
258-759-0
SMILES
c1ccc2c(c1)/C(=C\CCN3CCN(CC3)CCO)/c4cc(ccc4S2)C(F)(F)F
InChI
NJMYODHXAKYRHW-BLLMUTORSA-N
InChIKey
1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+
Water solubility
0.346 mg/L
log P (octanol-water)
4.25
Vapor Pressure
1.05E-12 mm Hg
Atmospheric OH Rate Constant
1.71E-10 cm3/molecule-sec
Henry's Law Constant
4.13E-16 atm-m3/mole
Class
(E)-4-[3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]piperazine-1-ethanol
Product Description
Product
(E)-4-[3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]piperazine-1-ethanol
CAS
53772-85-3
Synonym
(E)-4-[3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]piperazine-1-ethanol; (E)-Flupenthixol; 1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)-, (E)-; beta-flupenthixol; EINECS 258-759-0; TRANS -(E)-FLUPENTHIXOL; trans-(E)-Flupentixol; trans-flupenthixol; trans-flupentixol; UNII-895OJP78MJ; (e)-4-(3-(2-(trifluoromethyl)-9h-thioxanthen-9-ylidene)propyl)-1-piperazinee; (E)-4-(3-(2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)-1-piperazineethanol; (E)-4-(3-(2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)piperazine-1-ethanol
Typical Product Specifications
Molecular weight
434.52
EINECS
258-759-0
SMILES
c1ccc2c(c1)/C(=C\CCN3CCN(CC3)CCO)/c4cc(ccc4S2)C(F)(F)F
InChI
NJMYODHXAKYRHW-BLLMUTORSA-N
InChIKey
1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+
Water solubility
0.346 mg/L
log P (octanol-water)
4.25
Vapor Pressure
1.05E-12 mm Hg
Atmospheric OH Rate Constant
1.71E-10 cm3/molecule-sec
Henry's Law Constant
4.13E-16 atm-m3/mole
Class
