2-{[2-(3,4-Dimethoxyanilino)-2-oxoethyl]-sulfanyl}acetic acid

Base Information

• Chemical Name: 2-{[2-(3,4-Dimethoxyanilino)-2-oxoethyl]-sulfanyl}acetic acid
• CAS No.: 338409-77-1
• Molecular Formula: C12H15NO5S
• Molecular Weight: 285.32
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID70384647
• Wikidata: Q82176931
• Mol file: 338409-77-1.mol

Synonyms:338409-77-1;2-{[2-(3,4-Dimethoxyanilino)-2-oxoethyl]-sulfanyl}acetic acid;2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylacetic acid;2-{[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}acetic acid;2-((2-((3,4-Dimethoxyphenyl)amino)-2-oxoethyl)thio)acetic acid;2-({[(3,4-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)acetic acid;2-([2-(3,4-DIMETHOXYANILINO)-2-OXOETHYL]SULFANYL)ACETIC ACID;Oprea1_788273;DTXSID70384647;MFCD00202285;AKOS005070220;3H-525S;CCG-237487;CS-0358267;J-505195;{[2-(3,4-Dimethoxyanilino)-2-oxoethyl]sulfanyl}acetic acid;2-((2-((3,4-Dimethoxyphenyl)amino)-2-oxoethyl)thio)aceticacid

Chemical Property of 2-{[2-(3,4-Dimethoxyanilino)-2-oxoethyl]-sulfanyl}acetic acid

Chemical Property:

• Melting Point: 128-130°C
• PSA: 110.16000
• LogP: 1.53310
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 285.06709375
• Heavy Atom Count: 19
• Complexity: 313

Purity/Quality:

98%min ^*data from raw suppliers

2-{[2-(3,4-Dimethoxyanilino)-2-oxoethyl]-sulfanyl}acetic acid >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)NC(=O)CSCC(=O)O)OC