Chemical Properties of 2(1H)-Pyrimidinethione, tetrahydro-1,3-dimethyl- (CAS 16597-35-6)

InChI

InChI=1S/C6H12N2S/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3

InChI Key

JILASYJQVXOLSP-UHFFFAOYSA-N

Formula

C6H12N2S

SMILES

CN1CCCN(C)C1=S

Molecular Weight¹

144.24

CAS

16597-35-6

Other Names

• N,N'-Dimethyltrimethylenethiourea
• Tetrahydro-1,3-dimethyl-2(1H)-pyrimidinethione

• 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.
• 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	0.3773		Relay (1.0) Calculated Property
ΔfG°	214.91	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	39.37	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	71.28	kJ/mol	Relay (1.0) Calculated Property
IE	[7.30; 7.58]	eV
IE	7.30	eV	NIST
IE	7.58	eV	NIST
log10WS	-1.11		Relay (1.0) Calculated Property
logPoct/wat	0.539		Crippen Calculated Property
McVol	116.550	ml/mol	McGowan Calculated Property
Pc	3746.64	kPa	Relay (1.0-beta) Calculated Property
Tboil	538.63	K	Relay (1.0) Calculated Property
Tc	751.90	K	Relay (1.0) Calculated Property
Tfus	320.80	K	Relay (1.0) Calculated Property
Vc	0.409	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2(1H)-Pyrimidinethione, tetrahydro-1,3-dimethyl-.

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
• 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.