This chemical is called Phenol, 2-amino-4-[[2-(sulfooxy)ethyl]sulfonyl]-, and it can also be named as 2-Amino-4-{[2-(sulfoxy)-ethyl]sulfonyl}-phenol. With the molecular formula of C8H11NO7S2, its molecular weight is 297.31. The CAS registry number of this chemical is 4726-22-1.
Other characteristics of the Phenol, 2-amino-4-[[2-(sulfooxy)ethyl]sulfonyl]- can be summarised as followings: (1)ACD/LogP: -1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.68; (4)ACD/LogD (pH 7.4): -5.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 115.97 Å2; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 62.07 cm3; (15)Molar Volume: 173.3 cm3; (16)Polarizability: 24.6×10-24cm3; (17)Surface Tension: 83.2 dyne/cm; (18)Density: 1.715 g/cm3.
You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(O)OCCS(=O)(=O)c1ccc(O)c(N)c1
2.InChI: InChI=1/C8H11NO7S2/c9-7-5-6(1-2-8(7)10)17(11,12)4-3-16-18(13,14)15/h1-2,5,10H,3-4,9H2,(H,13,14,15)
3.InChIKey: SLLSIPBBZZFAKY-UHFFFAOYAX
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