Methionine,N-(N-acetylsulfanilyl)- (6Cl,7Cl) supplier

Name
2-({[4-(ACETYLAMINO)PHENYL]SULFONYL}AMINO)-4-(METHYLTHIO)BUTANOIC ACID
EINECS
CAS No. 92034-59-8
Article Data4
CAS DataBase
Density 1.396 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₈N₂O₅S₂
Boiling Point
Molecular Weight 346.428
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-{[4-(acetylamino)phenyl]sulfonyl}methionine;2-({[4-(acetylamino)phenyl]sulfonyl}amino)-4-(methylthio)butanoic acid;methionine, N-[[4-(acetylamino)phenyl]sulfonyl]-;2-(4-Acetylamino-benzenesulfonylamino)-4-methylsulfanyl-butyric acid;
PSA 146.25000
LogP 2.67430

Methionine,N-(N-acetylsulfanilyl)- (6Cl,7Cl) Specification

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

Product Name

2-({[4-(ACETYLAMINO)PHENYL]SULFONYL}AMINO)-4-(METHYLTHIO)BUTANOIC ACID

Methionine,N-(N-acetylsulfanilyl)- (6Cl,7Cl) Specification

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