4-Amino-5-(ethylthio)-2-methoxybenzoic acid

Base Information

• Chemical Name: 4-Amino-5-(ethylthio)-2-methoxybenzoic acid
• CAS No.: 71675-86-0
• Molecular Formula: C10H13NO3S
• Molecular Weight: 227.2801
• European Community (EC) Number: 275-832-2
• UNII: M9HN9Y8YJV
• DSSTox Substance ID: DTXSID20992276
• Nikkaji Number: J299.031H
• Wikidata: Q72489035
• Mol file: 71675-86-0.mol

Synonyms:71675-86-0;4-Amino-5-(ethylthio)-2-methoxybenzoic acid;2-Methoxy-4-amino-5-ethylthiobenzoic acid;4-amino-5-ethylsulfanyl-2-methoxybenzoic acid;4-Amino-5-(ethylthio)-o-anisic acid;EINECS 275-832-2;4-Amino-5-(ethylthio)-2-methoxybenzoicacid;4-amino-5-(ethylsulfanyl)-2-methoxybenzoic acid;4-Amino-5-Ethylthio-2-Methoxybenzoic Acid Methyl Ester;SCHEMBL7373404;DTXSID20992276;BCP18957;MFCD04973620;AKOS015890898;SB79862;DS-13167;CS-0151408;FT-0671149;E77212;Benzoic acid, 4-amino-5-(ethylthio)-2-methoxy

Chemical Property of 4-Amino-5-(ethylthio)-2-methoxybenzoic acid

Chemical Property:

• Vapor Pressure: 3.27E-07mmHg at 25°C
• Melting Point: 93-95°C
• Refractive Index: 1.612
• Boiling Point: 402.8 °C at 760 mmHg
• PKA: 4.57±0.10(Predicted)
• Flash Point: 197.4 °C
• PSA: 97.85000
• Density: 1.31 g/cm³
• LogP: 2.66880
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: Acetone, Dichloromethane, Ethyl Acetate, Methanol
• Water Solubility.: 400mg/L at 25℃
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 227.06161445
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

99.9% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC1=C(C=C(C(=C1)C(=O)O)OC)N
• Uses: 2-Methoxy-4-amino-5-ethylthiobenzoic Acid (cas# 71675-86-0) is a compound useful in organic synthesis.