Chemical Properties of Desmetryn (CAS 1014-69-3)

InChI

InChI=1S/C8H15N5S/c1-5(2)10-7-11-6(9-3)12-8(13-7)14-4/h5H,1-4H3,(H2,9,10,11,12,13)

InChI Key

HCRWJJJUKUVORR-UHFFFAOYSA-N

Formula

C8H15N5S

SMILES

CNc1nc(NC(C)C)nc(SC)n1

Molecular Weight¹

213.30

CAS

1014-69-3

Other Names

1,3,5-Triazine-2,4-diamine, N-methyl-N'-(1-methylethyl)-6-(methylthio)-
s-Triazine, 2-(isopropylamino)-4-(methylamino)-6-(methylthio)-
Desmetryne
G 34360
GS 34360
Norametryne
Semeron
Semeron 25
Semeron 250
Topusyn
2-Isopropylamino-4-methylamino-6-methylthio-1,3,5-triazine
Desmethryn
2-Isopropilamino-4-metilamino-6-metiltio-1,3,5-triazina
2-Isopropylamino-4-methylamino-6-methylmercapto-s-triazine
2-Methylamino-4-methylthio-6-isopropylamino-1,3,5-triazine
Methylmercapto-4-isopropylamino-6-methylamino-s-triazine
2-Methylthio-4-isopropylamino-6-methylamino-s-triazine
2-(Methylthio)-4-(methylamino)-6-(isopropylamino)-s-triazine
Samuron
2-Methylthio-4-methylamino-6-isopropylamine-1,3,5-triazine
Methylamino-4-methylthio-6-isopropylamino-1,3,5-triazine
Methylthio-4-isopropylamino-6-methylamino-s-triazine
N-Methyl-N'-(1-methylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine
Triazine, 2-(isopropylamino)-4-(methylamino)-6-(methylthio)-
2-Methylmercapto-4-methylamino-6-isopropylamino-s-triazine
2-Methylthio-4-methylamino-6-isopropyl-1,3,5-triazine

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).
I_np : Non-polar retention indices.
I : Polar retention indices.
¹: Molecular weight from the IUPAC atomic weights tables.

Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Please note that you need to enable javascript to get access to all the properties. Here is how to do it for Internet Explorer and for Firefox.

Physical Properties

Property	Value	Unit	Source
log₁₀WS	-2.48		Crippen Calculated Property
logP_oct/wat	1.455		Crippen Calculated Property
McVol	166.070	ml/mol	McGowan Calculated Property
I_np	[1815.00; 1848.00]
I_np	1815.00		NIST
I_np	1827.00		NIST
I_np	1836.00		NIST
I_np	1848.00		NIST
I_np	1848.00		NIST
I	[2868.00; 2889.00]
I	2868.00		NIST
I	2889.00		NIST
I	2868.00		NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Δ_subH	101.50	kJ/mol	340.00	NIST

Similar Compounds

Find more compounds similar to Desmetryn.

Sources

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.