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-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-408.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.06	kJ/mol	Joback 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
Tfus	475.54	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[233.30; 276.35]	J/mol×K	[577.50; 806.78]
Cp,gas	233.30	J/mol×K	577.50	Joback Calculated Property
Cp,gas	241.77	J/mol×K	615.71	Joback Calculated Property
Cp,gas	249.71	J/mol×K	653.93	Joback Calculated Property
Cp,gas	257.12	J/mol×K	692.14	Joback Calculated Property
Cp,gas	264.02	J/mol×K	730.35	Joback Calculated Property
Cp,gas	270.42	J/mol×K	768.57	Joback Calculated Property
Cp,gas	276.35	J/mol×K	806.78	Joback Calculated Property

Similar Compounds

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

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
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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