Chemical Properties of Thiopropazate (CAS 84-06-0)

InChI

InChI=1S/C23H28ClN3O2S/c1-18(28)29-16-15-26-13-11-25(12-14-26)9-4-10-27-20-5-2-3-6-22(20)30-23-8-7-19(24)17-21(23)27/h2-3,5-8,17H,4,9-16H2,1H3

InChI Key

AIUHRQHVWSUTGJ-UHFFFAOYSA-N

Formula

C23H28ClN3O2S

SMILES

CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1

Molecular Weight¹

446.00

CAS

84-06-0

Other Names

1-Piperazineethanol, 4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-, acetate (ester)
1-Piperazineethanol, 4-[3-(2-chlorophenothiazin-10-yl)propyl]-, acetate (ester)
Dartal
Dartalan
Perphenazine acetate
Thiopropazat
1-Piperazineethanol, 4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-, acetate
1-Piperazineethanol, 4-(3-(2-chlorophenothiazin-10-yl)propyl)-, acetate
4-(3-(2-Chlorophenothiazin-10-yl)propyl)-1-piperazineethanol acetate
1-(2-Acetoxyethyl)-4-[3-(2-chloro-10-phenothiazinyl)propyl]piperazine
10-[3-[4-(2-Acetoxyethyl)-1-piperazinyl]propyl]-2-chlorophenothiazine
2-Chloro-10-[3-[1-(2-acetoxyethyl)-4-piperazinyl]propyl]phenothiazine
N-(«beta»-Acetoxyethyl)-N'-(«gamma»-(2'-chloro-10'-phenothiazinyl)propyl)piperazine
Perphenazine, monoacetylated

IE : Ionization energy (eV).
log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
I_np : Non-polar retention indices.
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
IE	7.31 ± 0.14	eV	NIST
log₁₀WS	-4.61		Crippen Calculated Property
logP_oct/wat	4.513		Crippen Calculated Property
McVol	331.660	ml/mol	McGowan Calculated Property
I_np	[3465.00; 3480.00]
I_np	3480.00		NIST
I_np	3468.00		NIST
I_np	3468.00		NIST
I_np	3465.00		NIST
I_np	3465.00		NIST
I_np	3468.00		NIST
I_np	3480.00		NIST

Similar Compounds

Find more compounds similar to Thiopropazate.

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