Chemical Properties of S-Methyl-L-cysteine (CAS 1187-84-4)

InChI

InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1

InChI Key

IDIDJDIHTAOVLG-GSVOUGTGSA-N

Formula

C4H9NO2S

SMILES

CSCC(N)C(=O)O

Molecular Weight¹

135.19

CAS

1187-84-4

Other Names

• Alanine, 3-(methylthio)-, L-
• L-CH3SCH2CH(NH2)COOH
• L-Cysteine, S-methyl-

• ω : Acentric Factor.
• 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
ω	0.6439		Relay (1.0) Calculated Property
ΔfG°	-185.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-408.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.61	kJ/mol	Joback Calculated Property
ΔvapH°	79.08	kJ/mol	Relay (1.0) Calculated Property
IE	[8.40; 8.80]	eV
IE	8.40	eV	NIST
IE	8.80	eV	NIST
log10WS	0.24		Relay (1.0) Calculated Property
logPoct/wat	-0.239		Crippen Calculated Property
McVol	100.990	ml/mol	McGowan Calculated Property
Pc	5367.04	kPa	Joback Calculated Property
Tboil	542.14	K	Relay (1.0) Calculated Property
Tc	747.40	K	Relay (1.0) Calculated Property
Tfus	469.48	K	Relay (1.0) Calculated Property
Vc	0.326	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[230.62; 270.33]	J/mol×K	[577.84; 785.43]
Cp,gas	230.62	J/mol×K	577.84	Joback Calculated Property
Cp,gas	238.27	J/mol×K	612.44	Joback Calculated Property
Cp,gas	245.50	J/mol×K	647.04	Joback Calculated Property
Cp,gas	252.32	J/mol×K	681.64	Joback Calculated Property
Cp,gas	258.72	J/mol×K	716.24	Joback Calculated Property
Cp,gas	264.73	J/mol×K	750.83	Joback Calculated Property
Cp,gas	270.33	J/mol×K	785.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to S-Methyl-L-cysteine.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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