Methyl 2-mercaptobenzo[D]thiazole-5-carboxylate

Base Information

• Chemical Name: Methyl 2-mercaptobenzo[D]thiazole-5-carboxylate
• CAS No.: 58759-67-4
• Molecular Formula: C9H7NO2S2
• Molecular Weight: 225.29
• DSSTox Substance ID: DTXSID101208088
• Mol file: 58759-67-4.mol

Synonyms:58759-67-4;Methyl 2,3-dihydro-2-thioxo-5-benzothiazolecarboxylate;SCHEMBL9305296;METHYL 2-MERCAPTOBENZO[D]THIAZOLE-5-CARBOXYLATE;DTXSID101208088;AB66165;DB-416883

Chemical Property of Methyl 2-mercaptobenzo[D]thiazole-5-carboxylate

Chemical Property:

• Boiling Point: 380.3±44.0 °C(Predicted)
• PKA: 8.96±0.20(Predicted)
• PSA: 106.23000
• Density: 1.49±0.1 g/cm3(Predicted)
• LogP: 2.37160
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 224.99182081
• Heavy Atom Count: 14
• Complexity: 270

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC2=C(C=C1)SC(=S)N2