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

• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-3.93		Relay (1.0) Calculated Property
logPoct/wat	0.504		Crippen Calculated Property
McVol	208.340	ml/mol	McGowan Calculated Property
Inp	[1924.00; 1925.00]
Inp	1924.00		NIST
Inp	1925.00		NIST
Inp	1924.00		NIST
Tfus	378.13 ± 0.20	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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
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

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.
These property values are available through the Cheméo API. A free account gives you an access key.