Benzamide,N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]- (63967-10-2)

The N-(3-(5-Mercapto-1H-tetrazol-1-yl)phenyl)benzamide with the cas number 63967-10-2 is also called Benzamide,N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]-. Its molecular formula is C₁₄H₁₁N₅OS. 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: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.25; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 111.5 Å²; (11)Index of Refraction: 1.738; (12)Molar Refractivity: 83.76 cm³; (13)Molar Volume: 208 cm³; (14)Polarizability: 33.2×10^-24cm³; (15)Surface Tension: 59.5 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1cccc(c1)n2nnnc2S)c3ccccc3
(2)InChI: InChI=1/C14H11N5OS/c20-13(10-5-2-1-3-6-10)15-11-7-4-8-12(9-11)19-14(21)16-17-18-19/h1-9H,(H,15,20)(H,16,18,21)
(3)InChIKey: KJOCCCCUKDDDDA-UHFFFAOYAK