2-[(Thien-2-ylmethyl)thio]benzoic acid

Base Information

• Chemical Name: 2-[(Thien-2-ylmethyl)thio]benzoic acid
• CAS No.: 3759-75-9
• Molecular Formula: C₁₂H₁₀O₂S₂
• Molecular Weight: 250.342
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10407021
• Wikidata: Q82212228
• Mol file: 3759-75-9.mol

Synonyms:3759-75-9;2-[(thien-2-ylmethyl)thio]benzoic acid;2-(thiophen-2-ylmethylsulfanyl)benzoic Acid;2-((Thiophen-2-ylmethyl)thio)benzoic acid;2-{[(thiophen-2-yl)methyl]sulfanyl}benzoic acid;2-[(thiophen-2-ylmethyl)sulfanyl]benzoic acid;DTXSID10407021;MFCD06655600;AKOS000199871;2-((Thiophen-2-ylmethyl)thio)benzoicacid;CS-0232985;EN300-12989;SR-01000067842;SR-01000067842-1;Z89264870

Chemical Property of 2-[(Thien-2-ylmethyl)thio]benzoic acid

Chemical Property:

• Vapor Pressure: 1.54E-07mmHg at 25°C
• Boiling Point: 412.4°C at 760 mmHg
• Flash Point: 203.2°C
• PSA: 90.84000
• Density: 1.37g/cm³
• LogP: 3.73860
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 250.01222190
• Heavy Atom Count: 16
• Complexity: 245

Purity/Quality:

97% ^*data from raw suppliers

2-((Thiophen-2-ylmethyl)thio)benzoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)SCC2=CC=CS2

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