Chemical Properties of Prometryn (CAS 7287-19-6)

InChI

InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)

InChI Key

AAEVYOVXGOFMJO-UHFFFAOYSA-N

Formula

C10H19N5S

SMILES

CSc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1

Molecular Weight¹

241.36

CAS

7287-19-6

Other Names

• 1,3,5-Triazine-2,4-diamine, N,N'-bis(1-methylethyl)-6-(methylthio)-
• 2,4-Bis(isopropylamino)-6-(methylmercapto)-s-triazine
• 2,4-Bis(isopropylamino)-6-(methylthio)-1,3,5-triazine
• 2,4-Bis(isopropylamino)-6-(methylthio)-s-triazine
• 2-(Methylmercapto)-4,6-bis(isopropylamino)-s-triazine
• 2-(Methylthio)-4,6-bis(isopropylamino)-s-triazine
• A 1114
• Caparol
• Caparol 80W
• G 34161
• Gesagard
• Gesagard 50
• Gesagarde 50 Wp
• Mercasin
• Mercazin
• Merkazin
• N,N'-Bis(1-methylethyl)-6-methylthio-1,3,5-triazine-2,4-diamine
• NSC 163049
• Polisin
• Primatol Q
• Promepin
• Promethryn
• Promethryne
• Prometrex
• Prometrin
• Prometryne
• S-Triazine, 2,4-bis(isopropylamino)-6-methylmercapto-
• Selectin
• Selectin 50
• Selektin
• Sesagard
• Uvon
• s-Triazine, 2,4-bis(isopropylamino)-6-(methylthio)-
• s-Triazine, 4,6-bis(isopropylamino)-2-(methylmercapto)-

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : 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
ΔcH°solid	-7151.40 ± 9.20	kJ/mol	NIST
ΔfH°gas	7.00 ± 11.00	kJ/mol	NIST
ΔfH°solid	-102.00 ± 10.00	kJ/mol	NIST
log10WS	[-4.10; -4.10]
log10WS	-4.10		Aq. Solubility Prediction
log10WS	-4.10		Estimated Solubility
logPoct/wat	0.114		Crippen Calculated Property
McVol	194.250	ml/mol	McGowan Calculated Property
Inp	[1863.00; 1920.00]
Inp	1870.00		NIST
Inp	1878.00		NIST
Inp	1880.00		NIST
Inp	1888.00		NIST
Inp	1888.00		NIST
Inp	1883.00		NIST
Inp	1920.00		NIST
Inp	1916.00		NIST
Inp	1920.00		NIST
Inp	1919.00		NIST
Inp	1916.00		NIST
Inp	1863.00		NIST
Inp	1919.00		NIST
Inp	1916.00		NIST
Inp	1870.00		NIST
Inp	1883.00		NIST
I	[2758.00; 2780.00]
I	2758.00		NIST
I	2780.00		NIST
I	2758.00		NIST
I	2758.00		NIST
I	2758.00		NIST
Tfus	[393.33; 394.40]	K
Tfus	393.33 ± 0.20	K	NIST
Tfus	394.40 ± 0.20	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[481.69; 603.05]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.52502e+01
Coefficient B			-1.20241e+04
Temperature range, min.			481.69
Temperature range, max.			603.05
Pvap	1.33	kPa	481.69	Calculated Property
Pvap	2.63	kPa	495.17	Calculated Property
Pvap	5.01	kPa	508.66	Calculated Property
Pvap	9.22	kPa	522.14	Calculated Property
Pvap	16.47	kPa	535.63	Calculated Property
Pvap	28.58	kPa	549.11	Calculated Property
Pvap	48.31	kPa	562.60	Calculated Property
Pvap	79.67	kPa	576.08	Calculated Property
Pvap	128.42	kPa	589.57	Calculated Property
Pvap	202.62	kPa	603.05	Calculated Property

Similar Compounds

Find more compounds similar to Prometryn.

Sources

• 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
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.
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