Chemical Properties of Dipropetryn (CAS 4147-51-7)

InChI

InChI=1S/C11H21N5S/c1-6-17-11-15-9(12-7(2)3)14-10(16-11)13-8(4)5/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16)

InChI Key

NPWMZOGDXOFZIN-UHFFFAOYSA-N

Formula

C11H19N5S

SMILES

CCSc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1

Molecular Weight¹

253.37

CAS

4147-51-7

Other Names

• 1,3,5-Triazine-2,4-diamine, 6-(ethylthio)-N,N'-bis(1-methylethyl)-
• s-Triazine, 2-(ethylthio)-4,6-bis(isopropylamino)-
• Cotofor
• GS 16068
• Sancap
• Dipropetryne
• s-Triazine, 2,4-bis(isopropylamino)-6-ethylthio-
• 2-Ethylthio-4,6-bis(isopropylamino)-s-triazine
• 6-(Ethylthio)-N,N'-bis(1-methylethyl)-1,3,5-triazine-2,4-diamine

• 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_fusH : Enthalpy of fusion at a given temperature (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).
• 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	0.6252		Relay (1.0) Calculated Property
ΔfG°	376.21	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-34.08	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	118.92	kJ/mol	Relay (1.0) Calculated Property
IE	7.73	eV	Relay (1.0) Calculated Property
log10WS	-3.93		Relay (1.0) Calculated Property
logPoct/wat	0.504		Crippen Calculated Property
McVol	208.340	ml/mol	McGowan Calculated Property
Pc	2175.31	kPa	Relay (1.0-beta) Calculated Property
Inp	[1924.00; 1925.00]
Inp	1924.00		NIST
Inp	1925.00		NIST
Inp	1924.00		NIST
Tboil	577.66	K	Relay (1.0) Calculated Property
Tc	846.39	K	Relay (1.0) Calculated Property
Tfus	378.13 ± 0.20	K	NIST
Vc	0.748	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[23.94; 23.94]	kJ/mol	[377.70; 377.70]
ΔfusH	23.94	kJ/mol	377.70	NIST
ΔfusH	23.94	kJ/mol	377.70	NIST
ΔfusH	23.94	kJ/mol	377.70	NIST
ΔfusH	23.94	kJ/mol	377.70	NIST

Similar Compounds

Find more compounds similar to Dipropetryn.

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

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