Specs - Compound Management services and Research Compounds for the Life Science industry

Specs ID search result

AR-438/43237645 is available in 1102 mg

Compound details
MDL #:		MFCD06408054
Formula:		C12 H9 N3 O2 S
Weight:		259.29
Chiral info:		Not available
Name:		2-{2-nitroanilino}-5-methyl-3-thiophenecarbonitrile
SMILES:		Cc2cc(C#N)c(Nc1ccccc1[N+](=O)[O-])s2
InChI^TM:		InChI=1S/C12H9N3O2S/c1-8-6-9(7-13)12(18-8)14-10-4-2-3-5-11(10)15(16)17/h2-6,14H,1H3
InChIKey^TM:		NPXUFPFFHANGDL-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		146 mg/Kg
Chronic LOAEL:		18.4 mg/Kg
AMES Mutagenicity:		1
Developmental Toxicity Potential:		1

Chemical properties calculations
LogP:	4.15	H-acceptors: 2
LogS:	-4.9	H-donors: 1
tPSA:	107.2 Å²	Rotatable bonds: 3

Purchase 10 mg of AR-438/43237645 for only 26 USD after login to Specs.net! Receive your compounds in clear glass vials within 5 working days after ordering via Specs.net. Please logon to Specs.net using your personal account or register as new user here.

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.