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AN-652/42917760 is available in 56 mg

Compound details
MDL #:		MFCD05882084
Formula:		C12 H17 N O S
Weight:		223.34
Chiral info:		Not available
Name:		3-methyl-N-[3-(methylsulfanyl)phenyl]butanamide
SMILES:		CC(C)CC(=O)Nc1cccc(c1)SC
InChI^TM:		InChI=1S/C12H17NOS/c1-9(2)7-12(14)13-10-5-4-6-11(8-10)15-3/h4-6,8-9H,7H2,1-3H3,(H,13,14)
InChIKey^TM:		DGHLRBWBFCYZRW-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		546 mg/Kg
Chronic LOAEL:		22 mg/Kg

Chemical properties calculations
LogP:	3.1	H-acceptors: 2
LogS:	-3.48	H-donors: 1
tPSA:	54.4 Å²	Rotatable bonds: 5

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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.