Acetamide,N-[[(2-methyl-5-nitrophenyl)amino]thioxomethyl]- (72621-59-1)

The N-(2-Methyl-5-nitrophenylcarbamothioyl)acetamide with the cas number 72621-59-1 is also called Acetamide,N-[[(2-methyl-5-nitrophenyl)amino]thioxomethyl]-. Its molecular formula is C₁₀H₁₁N₃O₃S. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 1.91; (5)ACD/BCF (pH 5.5): 16.65; (6)ACD/BCF (pH 7.4): 16.5; (7)ACD/KOC (pH 5.5): 260.53; (8)ACD/KOC (pH 7.4): 258.15; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 101.46 Å²; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 67.41 cm³; (15)Molar Volume: 180.9 cm³; (16)Polarizability: 26.72×10^-24cm³; (17)Surface Tension: 67.3 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C(Nc1cc(ccc1C)[N+]([O-])=O)NC(=O)C
(2)InChI: InChI=1/C10H11N3O3S/c1-6-3-4-8(13(15)16)5-9(6)12-10(17)11-7(2)14/h3-5H,1-2H3,(H2,11,12,14,17)
(3)InChIKey: CDPXNPNSPNMGCJ-UHFFFAOYAE