2-[(4-Sulfamoylphenyl)sulfanyl]acetic acid

Base Information

• Chemical Name: 2-[(4-Sulfamoylphenyl)sulfanyl]acetic acid
• CAS No.: 575446-72-9
• Molecular Formula: C₈H₉NO₄S₂
• Molecular Weight: 247.296
• DSSTox Substance ID: DTXSID20656063
• Wikidata: Q82570524

Synonyms:2-[(4-sulfamoylphenyl)sulfanyl]acetic acid;575446-72-9;2-(4-sulfamoylphenyl)sulfanylacetic acid;DTXSID20656063;AYA44672;AKOS009496890;CCG-357783;[(4-Sulfamoylphenyl)sulfanyl]acetic acid;2-[(4-sulfamoylphenyl)sulfanyl]aceticacid;EN300-60168;Z425341708

Chemical Property of 2-[(4-Sulfamoylphenyl)sulfanyl]acetic acid

Chemical Property:

• PSA: 131.14000
• LogP: 2.29180
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 246.99730012
• Heavy Atom Count: 15
• Complexity: 314

Purity/Quality:

2-[(4-SULFAMOYLPHENYL)SULFANYL]ACETIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1SCC(=O)O)S(=O)(=O)N

Technology Process of 2-[(4-Sulfamoylphenyl)sulfanyl]acetic acid

There total 3 articles about 2-[(4-Sulfamoylphenyl)sulfanyl]acetic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

sodium monochloroacetic acid (3926-62-3) → (4-sulfamoyl-phenylsulfanyl)-acetic acid (575446-72-9)

Guidance literature:

With water; beim mehrtaegigen Behandeln des Reaktionsprodukts mit Phosphoroxychlorid und Behandeln der danach isolierten <4-Chlorsulfonyl-phenylmercapto>-essigsaeure (C9H7ClO4S2) mit wss. Ammoniak;

DOI:10.1021/ja01189a003

Reference yield:

(4-sulfamoyl-phenylsulfanyl)-acetic acid ethyl ester (857558-65-7) → (4-sulfamoyl-phenylsulfanyl)-acetic acid (575446-72-9)

Guidance literature:

With potassium hydroxide;

Reference yield:

sodium monochloroacetic acid (3926-62-3) → (4-sulfamoyl-phenylsulfanyl)-acetic acid (575446-72-9)

Guidance literature:

With water;

upstream raw materials:

(4-sulfamoyl-phenylsulfanyl)-acetic acid ethyl ester

sodium monochloroacetic acid

Downstream raw materials:

(4-sulfamoyl-benzenesulfinyl)-acetic acid

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