Methyl 5-sulfanylidenepyrrolidine-2-carboxylate

Base Information

• Chemical Name: Methyl 5-sulfanylidenepyrrolidine-2-carboxylate
• CAS No.: 85178-38-7
• Molecular Formula: C₆H₉NO₂S
• Molecular Weight: 159.209
• Mol file: 85178-38-7.mol

Synonyms:methyl 5-sulfanylidenepyrrolidine-2-carboxylate;85178-38-7;2-Pyrrolidinecarboxylic acid, 5-thioxo-, methyl ester;BDNFWMHPTDPFIT-UHFFFAOYSA-N;Methyl 5-thioxo-2-pyrrolidinecarboxylate #;EN300-6732614

Chemical Property of Methyl 5-sulfanylidenepyrrolidine-2-carboxylate

Chemical Property:

• Boiling Point: 224.7±50.0 °C(Predicted)
• PKA: 11.09±0.40(Predicted)
• PSA: 70.42000
• Density: 1.25±0.1 g/cm3(Predicted)
• LogP: 0.56760
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 159.03539970
• Heavy Atom Count: 10
• Complexity: 169

Purity/Quality:

5-thioxo-Prolinemethylester 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1CCC(=S)N1

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