The Methionine,N-(N-acetylsulfanilyl)- (6Cl,7Cl), with the CAS registry number 92034-59-8, has the systematic name of N-{[4-(acetylamino)phenyl]sulfonyl}methionine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C13H18N2O5S2.
The characteristics of Methionine,N-(N-acetylsulfanilyl)- (6Cl,7Cl) are as followings: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.17; (4)ACD/LogD (pH 7.4): -2.13; (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: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 117.67 Å2; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 85.04 cm3; (15)Molar Volume: 248.1 cm3; (16)Polarizability: 33.71×10-24cm3; (17)Surface Tension: 62 dyne/cm; (18)Density: 1.396 g/cm3.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(NC(C(=O)O)CCSC)c1ccc(NC(=O)C)cc1
(2)InChI: InChI=1/C13H18N2O5S2/c1-9(16)14-10-3-5-11(6-4-10)22(19,20)15-12(13(17)18)7-8-21-2/h3-6,12,15H,7-8H2,1-2H3,(H,14,16)(H,17,18)
(3)InChIKey: RJJGSJXGOJEVFB-UHFFFAOYAK
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