Chemical Properties of 4-Methylthio-2-5-dimethoxyamphetamine (CAS 61638-07-1)

InChI

InChI=1S/C12H19NO2S/c1-8(13)5-9-6-11(15-3)12(16-4)7-10(9)14-2/h6-8H,5,13H2,1-4H3

InChI Key

COBYBOVXXDQRAU-UHFFFAOYSA-N

Formula

C12H19NO2S

SMILES

COc1cc(SC)c(OC)cc1CC(C)N

Molecular Weight¹

241.35

CAS

61638-07-1

Other Names

• Benzeneethanamine,2,5-dimethoxy-4-methylthio-«alpha»-methyl-

• 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).
• 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).
• 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°	20.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-282.95	kJ/mol	Joback Calculated Property
ΔfusH°	27.89	kJ/mol	Joback Calculated Property
ΔvapH°	68.46	kJ/mol	Joback Calculated Property
IE	[6.80; 7.64]	eV
IE	6.80	eV	NIST
IE	7.64	eV	NIST
log10WS	-3.22		Crippen Calculated Property
logPoct/wat	2.315		Crippen Calculated Property
McVol	194.250	ml/mol	McGowan Calculated Property
Pc	2412.37	kPa	Joback Calculated Property
Tboil	701.29	K	Joback Calculated Property
Tc	928.12	K	Joback Calculated Property
Tfus	436.10	K	Joback Calculated Property
Vc	0.713	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[518.01; 594.39]	J/mol×K	[701.29; 928.12]
Cp,gas	518.01	J/mol×K	701.29	Joback Calculated Property
Cp,gas	533.23	J/mol×K	739.10	Joback Calculated Property
Cp,gas	547.47	J/mol×K	776.90	Joback Calculated Property
Cp,gas	560.73	J/mol×K	814.71	Joback Calculated Property
Cp,gas	572.97	J/mol×K	852.51	Joback Calculated Property
Cp,gas	584.20	J/mol×K	890.32	Joback Calculated Property
Cp,gas	594.39	J/mol×K	928.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Methylthio-2-5-dimethoxyamphetamine.

Sources

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

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