2-{[(3,4-Dichlorophenyl)sulfanyl]methyl}pentanedioic acid

Base Information

• Chemical Name: 2-{[(3,4-Dichlorophenyl)sulfanyl]methyl}pentanedioic acid
• CAS No.: 136865-46-8
• Molecular Formula: C12H12Cl2O4S
• DSSTox Substance ID: DTXSID20600925
• Mol file: 136865-46-8.mol

Synonyms:136865-46-8;SCHEMBL9645139;2-{[(3,4-Dichlorophenyl)sulfanyl]methyl}pentanedioic acid;DTXSID20600925;JNRJUDKSOVDRCZ-UHFFFAOYSA-N;2-(3,4-dichlorophenylthiomethyl)glutaric acid

Chemical Property of 2-{[(3,4-Dichlorophenyl)sulfanyl]methyl}pentanedioic acid

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 321.9833354
• Heavy Atom Count: 19
• Complexity: 327

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1SCC(CCC(=O)O)C(=O)O)Cl)Cl

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