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AG-690/12885164 is available in 237 mg

Compound details
MDL #:		MFCD01064446
Formula:		C9 H10 N4 S
Weight:		206.27
Chiral info:		Not available
Name:		4-amino-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol
SMILES:		Cc1cccc(c1)c2nnc(n2(N))S
InChI^TM:		InChI=1S/C9H10N4S/c1-6-3-2-4-7(5-6)8-11-12-9(14)13(8)10/h2-5H,10H2,1H3,(H,12,14)
InChIKey^TM:		IVNCIEVZGZDKTH-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		3540 mg/Kg
Chronic LOAEL:		45.5 mg/Kg
AMES Mutagenicity:		1

Chemical properties calculations
LogP:	1.33	H-acceptors: 4
LogS:	-1.84	H-donors: 1
tPSA:	95.53 Å²	Rotatable bonds: 1

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Disclaimer: Predicted physical and biological properties, such as toxicity, mentioned on this website are indicative only and may not be relied upon in any way. Liability for damages of any kind resulting from reliance on these properties is expressly rejected.