Chemical Properties of 4-Methylthioamphetamine-M/artifact (sulfoxide) acetylated

InChI

InChI=1S/C12H17NO3S/c1-9(13-10(2)14)8-11-4-6-12(7-5-11)17(3,15)16/h4-7,9H,8H2,1-3H3,(H,13,14)

InChI Key

VMGFUUVUFWMVAZ-UHFFFAOYSA-N

Formula

C12H17NO3S

SMILES

CC(=O)NC(C)Cc1ccc(S(C)(=O)=O)cc1

Molecular Weight¹

255.33

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-357.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-583.69	kJ/mol	Joback Calculated Property
ΔfusH°	35.04	kJ/mol	Joback Calculated Property
ΔvapH°	76.67	kJ/mol	Joback Calculated Property
log10WS	-2.30		Crippen Calculated Property
logPoct/wat	1.157		Crippen Calculated Property
McVol	195.820	ml/mol	McGowan Calculated Property
Pc	3035.62	kPa	Joback Calculated Property
Inp	[2360.00; 2360.00]
Inp	2360.00		NIST
Inp	2360.00		NIST
Tboil	657.00	K	Joback Calculated Property
Tc	862.95	K	Joback Calculated Property
Tfus	390.09	K	Joback Calculated Property
Vc	0.760	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[506.11; 580.86]	J/mol×K	[657.00; 862.95]
Cp,gas	506.11	J/mol×K	657.00	Joback Calculated Property
Cp,gas	520.96	J/mol×K	691.32	Joback Calculated Property
Cp,gas	534.83	J/mol×K	725.65	Joback Calculated Property
Cp,gas	547.74	J/mol×K	759.97	Joback Calculated Property
Cp,gas	559.70	J/mol×K	794.30	Joback Calculated Property
Cp,gas	570.73	J/mol×K	828.62	Joback Calculated Property
Cp,gas	580.86	J/mol×K	862.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Methylthioamphetamine-M/artifact (sulfoxide) acetylated.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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