Simetryne

$25 - $1475

Price

Brand	Packaging	Price	Product name
AHH MT-58597	10g	$520	Simetryn
AK Scientific O395	250mg	$125	Simetryn
American Custom Chemicals Corporation PST0000296	5MG	$502.1	SIMETRYN
Cayman Chemical 20392	100mg	$25	Simetryn
Cayman Chemical 20392	1 g	$209	Simetryn
Cayman Chemical 20392	1g	$230	Simetryn
Cayman Chemical 20392	100mg	$28	Simetryn
Cayman Chemical 20392	250 mg	$59	Simetryn
Cayman Chemical 20392	250mg	$65	Simetryn
Cayman Chemical 20392	500 mg	$111	Simetryn

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Melting point	82-83°C
Boiling point	312.8°C (rough estimate)
Density	1.1553 (rough estimate)
refractive index	1.5500 (estimate)
storage temp.	0-6°C
solubility	DMF: 30 mg/mL; DMSO: 30 mg/mL; Ethanol: 30 mg/mL; Ethanol:PBS (pH 7.2) (1:4): 0.2 mg/mL
form	Solid
pka	4.05±0.10(Predicted)
color	White to off-white
Water Solubility	0.45g/L(room temperature)
Merck	13,8610
BRN	11728
Henry's Law Constant	2.2×10⁴ mol/(m³Pa) at 25℃, Duchowicz et al. (2020)
Major Application	agriculture environmental
InChI	1S/C8H15N5S/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)
InChIKey	MGLWZSOBALDPEK-UHFFFAOYSA-N
SMILES	CCNc1nc(NCC)nc(SC)n1
CAS DataBase Reference	1014-70-6(CAS DataBase Reference)
NIST Chemistry Reference	2-Methylthio-4,6-bis(ethylamino)-1,3,5-triazine(1014-70-6)
EPA Substance Registry System	Simetryn (1014-70-6)