Chemical Properties of Thioproperazine (CAS 316-81-4)

InChI

InChI=1S/C22H30N4O2S2/c1-23(2)30(27,28)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)29-22)12-6-11-25-15-13-24(3)14-16-25/h4-5,7-10,17H,6,11-16H2,1-3H3

InChI Key

VZYCZNZBPPHOFY-UHFFFAOYSA-N

Formula

SMILES

CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1

Molecular Weight¹

446.63

CAS

316-81-4

Other Names

10H-Phenothiazine-2-sulfonamide, N,N-dimethyl-10-[3-(4-methyl-1-piperazinyl)propyl]-
Phenothiazine-2-sulfonamide, N,N-dimethyl-10-[3-(4-methyl-1-piperazinyl)propyl]-
Mazeptil
RP 7843
Sulfenazin
SKF 5883
Thioperazine
Tioproperazin
Vontil
7843 R.P.
Majeptyl
Mazeptyl
Megeptil
Thioproperazin
2-Dimethylsulfamido-(10-(3-1-methylpiperazinyl-4)propyl)-phenothiazine
N,N-Dimethyl-10-[3-(4-methyl-1-piperazinyl)propyl]phenothiazine-2-sulfonamide
Thiproperazine
Cephalmin

ω : Acentric Factor.
Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
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).
P_c : Critical Pressure (kPa).
I_np : Non-polar retention indices.
T_boil : Normal Boiling Point Temperature (K).
T_c : Critical Temperature (K).
T_fus : Normal melting (fusion) point (K).
V_c : Critical Volume (m³/kmol).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
ω	0.8924		Relay (1.0) Calculated Property
Δ_fG°	322.93	kJ/mol	Relay (1.0-beta) Calculated Property
Δ_fH°_gas	-117.50	kJ/mol	Relay (1.0) Calculated Property
Δ_vapH°	143.58	kJ/mol	Relay (1.0) Calculated Property
IE	6.81 ± 0.07	eV	NIST
log₁₀WS	-4.18		Relay (1.0) Calculated Property
logP_oct/wat	3.177		Crippen Calculated Property
McVol	335.960	ml/mol	McGowan Calculated Property
P_c	1076.98	kPa	Relay (1.0-beta) Calculated Property
I_np	3528.00		NIST
T_boil	809.50	K	Relay (1.0) Calculated Property
T_c	1094.14	K	Relay (1.0) Calculated Property
T_fus	426.56	K	Relay (1.0) Calculated Property
V_c	1.214	m³/kmol	Relay (1.0) Calculated Property

Similar Compounds

Dimetotiazine M (nor-), acetylated.

Dimetotiazine.

Thiethylperazine M (sulfone).

Dimetotiazine M (bis-nor-), acetylated.

Dimetotiazine M (hydroxy-), acetylated.

Sulforidazine.

Thiethylperazine.

Sulforidazine M (nor-), monoacetylated.

Mesoridazine.

Acetophenazine.

Butaperazine.

Carfenazine.

Mucronatinine.

Naloxone, bis(trimethylsilyl) ether.

Thymidine, 3'-O-acetyl, 5'-O-TBDMS.

Find more compounds similar to Thioproperazine.

Sources

Cheméo Relay (1.0)
Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
Crippen Method
Crippen Method
McGowan Method
NIST Webbook

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