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AO-840/40168496 is available in 634 mg

Compound details
MDL #:		MFCD00607130
Formula:		C4 H2 N2 S3
Weight:		174.27
Chiral info:		Not available
Name:		5-amino-3-thioxo-3H-1,2-dithiole-4-carbonitrile
SMILES:		N#CC1=C(N)SSC1=S
InChI^TM:		InChI=1S/C4H2N2S3/c5-1-2-3(6)8-9-4(2)7/h6H2
InChIKey^TM:		IXPKEXWZTKXQBC-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		3420 mg/Kg
Chronic LOAEL:		29.9 mg/Kg
Developmental Toxicity Potential:		0.16

Chemical properties calculations
LogP:	-0.89	H-acceptors: 2
LogS:	0.76	H-donors: 1
tPSA:	132.5 Å²	Rotatable bonds: 0

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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.