4-Amino-2-methoxy-5-sulfanylbenzoic acid

Base Information

• Chemical Name: 4-Amino-2-methoxy-5-sulfanylbenzoic acid
• CAS No.: 59168-57-9
• Molecular Formula: C8H9 N O3 S
• Molecular Weight: 199.22696
• DSSTox Substance ID: DTXSID50392462
• Wikidata: Q82190723
• Mol file: 59168-57-9.mol

Synonyms:59168-57-9;2-METHOXY-4-AMINO-5-MERCAPTOBENZOIC ACID;4-amino-2-methoxy-5-sulfanylbenzoic acid;4-AMINO-2-METHOXY-5-MERCAPTOBENZOIC ACID;SCHEMBL7376591;DTXSID50392462;QOWLKTWQYURQLI-UHFFFAOYSA-N;AKOS006292153;AB21385;amino-(tetrahydro-pyran-4-yl)-aceticacid;FT-0671151

Chemical Property of 4-Amino-2-methoxy-5-sulfanylbenzoic acid

Chemical Property:

• Melting Point: 168-170°C
• PSA: 111.35000
• LogP: 1.84550
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 199.03031432
• Heavy Atom Count: 13
• Complexity: 200

Purity/Quality:

98%Min ^*data from raw suppliers

2-Methoxy-4-amino-5-mercaptobenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1C(=O)O)S)N
• Uses: 2-Methoxy-4-amino-5-mercaptobenzoic Acid is an Amisulpride (A633250) impurity.