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AI-942/25034216 is available in 10141 mg

Compound details
MDL #:		MFCD00005439
Formula:		C6 H6 O2 S
Weight:		142.18
Chiral info:		Not available
Name:		5-methylthiophene-2-carboxylic acid
SMILES:		Cc1ccc(C(O)=O)s1
InChI^TM:		InChI=1S/C6H6O2S/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3,(H,7,8)
InChIKey^TM:		VCNGNQLPFHVODE-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		2450 mg/Kg
Developmental Toxicity Potential:		1

Chemical properties calculations
LogP:	2.24	H-acceptors: 2
LogS:	-2.15	H-donors: 1
tPSA:	65.54 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.