2-[Carboxymethylsulfanyl-(2-ethoxyphenyl)methyl]sulfanylacetic acid

Base Information

• Chemical Name: 2-[Carboxymethylsulfanyl-(2-ethoxyphenyl)methyl]sulfanylacetic acid
• CAS No.: 6623-23-0
• Molecular Formula: C13H16O5S2
• Molecular Weight: 316.3931
• NSC Number: 54163
• DSSTox Substance ID: DTXSID40288108
• Wikidata: Q82024390
• ChEMBL ID: CHEMBL4587120

Synonyms:6623-23-0;NSC 54163;NSC54163;2,2'-{[(2-ethoxyphenyl)methanediyl]disulfanediyl}diacetic acid;CHEMBL4587120;DTXSID40288108;NSC-54163

Chemical Property of 2-[Carboxymethylsulfanyl-(2-ethoxyphenyl)methyl]sulfanylacetic acid

Chemical Property:

• Boiling Point: 527.7°Cat760mmHg
• Flash Point: 272.9°C
• Density: 1.374g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 316.04391595
• Heavy Atom Count: 20
• Complexity: 306

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=CC=C1C(SCC(=O)O)SCC(=O)O

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