Chemical Properties of Pyrimidine, 4-amino-2-mercapto-5-methyl, TMS

InChI

InChI=1S/C11H23N3SSi2/c1-9-8-12-11(15-17(5,6)7)13-10(9)14-16(2,3)4/h8H,1-7H3,(H,12,13,14)

InChI Key

QKXXDMQKGKMFSI-UHFFFAOYSA-N

Formula

C11H23N3SSi2

SMILES

Cc1cnc(S[Si](C)(C)C)nc1N[Si](C)(C)C

Molecular Weight¹

285.56

• 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	0.5299		Relay (1.0) Calculated Property
ΔfG°	293.80	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-202.09	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	76.52	kJ/mol	Relay (1.0) Calculated Property
IE	8.45	eV	Relay (1.0) Calculated Property
log10WS	-3.49		Relay (1.0) Calculated Property
logPoct/wat	3.959		Crippen Calculated Property
Pc	1574.80	kPa	Relay (1.0-beta) Calculated Property
Inp	[1738.00; 1738.00]
Inp	1738.00		NIST
Inp	1738.00		NIST
Tboil	546.54	K	Relay (1.0) Calculated Property
Tc	799.38	K	Relay (1.0) Calculated Property
Tfus	381.12	K	Relay (1.0) Calculated Property
Vc	0.878	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Pyrimidine, 4-amino-2-mercapto-5-methyl, TMS.

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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