Chemical Properties of L-Cysteine, N,S-bis(tert-butyldimethylsilyl)-, tert-butyldimethylsilyl ester (CAS 110024-94-7)

InChI

InChI=1S/C21H49NO2SSi3/c1-19(2,3)26(10,11)22-17(16-25-28(14,15)21(7,8)9)18(23)24-27(12,13)20(4,5)6/h17,22H,16H2,1-15H3/t17-/m1/s1

InChI Key

KNTFUAXIDAVDEF-QGZVFWFLSA-N

Formula

C21H49NO2SSi3

SMILES

CC(C)(C)[Si](C)(C)NC(CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C

Molecular Weight¹

463.94

CAS

110024-94-7

Other Names

• tert-Butyl(dimethyl)silyl 2-([tert-butyl(dimethyl)silyl]amino)-3-([tert-butyl(dimethyl)silyl]sulfanyl)propanoate, (L)-
• Cysteine, N,S,O-tris-TBDMS
• Cystein tri-TBDMS
• Cysteine, TBDMS
• L-cysteine, 3tbdms derivative

• 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.
• 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
ω	0.6792		Relay (... Calculated Property
ΔfG°	-51.84	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-953.77	kJ/mol	Relay (... Calculated Property
ΔvapH°	75.23	kJ/mol	Relay (... Calculated Property
IE	7.82	eV	Relay (... Calculated Property
log10WS	-4.56		Relay (... Calculated Property
logPoct/wat	7.237		Crippen Calculated Property
Pc	1094.27	kPa	Relay (... Calculated Property ⚠️
Inp	[2189.00; 2215.00]
Inp	2215.00		NIST
Inp	2189.00		NIST
Inp	2189.00		NIST
Inp	2215.00		NIST
Tboil	580.31	K	Relay (... Calculated Property
Tc	836.75	K	Relay (... Calculated Property
Tfus	352.11	K	Relay (... Calculated Property
Vc	1.544	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to L-Cysteine, N,S-bis(tert-butyldimethylsilyl)-, tert-butyldimethylsilyl ester.

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
• NIST Webbook

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