Methyl (S)-3-phenyl-2-thiocyanatopropanoate
TL;DR: Methyl (S)-3-phenyl-2-thiocyanatopropanoate (CAS 1391745-08-6) is a chemical compound with molecular formula C11H11NO2S and molecular weight 221.05106 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-3-phenyl-2-thiocyanatopropanoate
Also Known As: Methyl (S)-3-phenyl-2-thiocyanatopropanoate, methyl (2S)-3-phenyl-2-thiocyanatopropanoate
Technical Specifications
| Molecular Formula | C11H11NO2S |
| Molecular Weight | 221.05106 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.05106 Da |
| Heavy Atoms | 15 |
| Complexity | 253.0 |
| SMILES | COC(=O)[C@H](CC1=CC=CC=C1)SC#N |
| InChIKey | LIZYKUWCTWWSBG-JTQLQIEISA-N |
Chemical Property Profile of Methyl (S)-3-phenyl-2-thiocyanatopropanoate
Property Insights of Methyl (S)-3-phenyl-2-thiocyanatopropanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (S)-3-phenyl-2-thiocyanatopropanoate. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (S)-3-phenyl-2-thiocyanatopropanoate. Following Lipinski's Rule of Five, Methyl (S)-3-phenyl-2-thiocyanatopropanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl (S)-3-phenyl-2-thiocyanatopropanoate?
The CAS number of Methyl (S)-3-phenyl-2-thiocyanatopropanoate is 1391745-08-6.
What is the molecular formula of Methyl (S)-3-phenyl-2-thiocyanatopropanoate?
The molecular formula of Methyl (S)-3-phenyl-2-thiocyanatopropanoate is C11H11NO2S.
What is the molecular weight of Methyl (S)-3-phenyl-2-thiocyanatopropanoate?
The molecular weight of Methyl (S)-3-phenyl-2-thiocyanatopropanoate is 221.05106 g/mol.
Where can I buy Methyl (S)-3-phenyl-2-thiocyanatopropanoate?
You can request a quote for Methyl (S)-3-phenyl-2-thiocyanatopropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl (S)-3-phenyl-2-thiocyanatopropanoate?
Yes, CoreyChem provides custom synthesis services for Methyl (S)-3-phenyl-2-thiocyanatopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.