Benzoic acid, 3-(chlorothio)-, methyl ester

Base Information

• Chemical Name: Benzoic acid, 3-(chlorothio)-, methyl ester
• CAS No.: 88489-85-4
• Molecular Formula: C8H7ClO2S
• Molecular Weight: 202.65800
• DSSTox Substance ID: DTXSID10575052
• Wikidata: Q82464280
• Mol file: 88489-85-4.mol

Synonyms:88489-85-4;Methyl 3-chlorosulphenyl benzoate;Benzoic acid, 3-(chlorothio)-, methyl ester;methyl 3-(chlorothio)benzoate;methyl 3-chlorosulfanylbenzoate;methyl3-(chlorothio)benzoate;SCHEMBL12307633;DTXSID10575052;METHYL 3-(CHLOROSULFANYL)BENZOATE;A856411

Chemical Property of Benzoic acid, 3-(chlorothio)-, methyl ester

Chemical Property:

• PSA: 51.60000
• LogP: 2.71910
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 201.9855283
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=CC=C1)SCl

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