(E)-3-Phenylsulfanyl-but-2-enoic acid methyl ester
TL;DR: (E)-3-Phenylsulfanyl-but-2-enoic acid methyl ester (CAS 1093350-47-0) is a chemical compound with molecular formula C11H12O2S and molecular weight 208.0558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (E)-3-phenylsulfanylbut-2-enoate
Also Known As: Methyl (E)-3-phenylsulfanylbut-2-enoate, methyl (2E)-3-(phenylsulfanyl)but-2-enoate, J1.379.136H, 3-(phenylsulfanyl)but-2-enoic acid methyl ester, (E)-3-(Phenylthio)-2-butenoic acid methyl ester
Technical Specifications
| Molecular Formula | C11H12O2S |
| Molecular Weight | 208.0558 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.0558 Da |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
| SMILES | C/C(=C\C(=O)OC)/SC1=CC=CC=C1 |
| InChIKey | LNWWTJYGGYLSAP-CMDGGOBGSA-N |
Chemical Property Profile of (E)-3-Phenylsulfanyl-but-2-enoic acid methyl ester
Property Insights of (E)-3-Phenylsulfanyl-but-2-enoic acid methyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-Phenylsulfanyl-but-2-enoic acid methyl ester. With a topological polar surface area (TPSA) of 51.6 Ų, (E)-3-Phenylsulfanyl-but-2-enoic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-Phenylsulfanyl-but-2-enoic acid methyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-3-Phenylsulfanyl-but-2-enoic acid methyl ester?
The CAS number of (E)-3-Phenylsulfanyl-but-2-enoic acid methyl ester is 1093350-47-0.
What is the molecular formula of (E)-3-Phenylsulfanyl-but-2-enoic acid methyl ester?
The molecular formula of (E)-3-Phenylsulfanyl-but-2-enoic acid methyl ester is C11H12O2S.
What is the molecular weight of (E)-3-Phenylsulfanyl-but-2-enoic acid methyl ester?
The molecular weight of (E)-3-Phenylsulfanyl-but-2-enoic acid methyl ester is 208.0558 g/mol.
Where can I buy (E)-3-Phenylsulfanyl-but-2-enoic acid methyl ester?
You can request a quote for (E)-3-Phenylsulfanyl-but-2-enoic acid methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-3-Phenylsulfanyl-but-2-enoic acid methyl ester?
Yes, CoreyChem provides custom synthesis services for (E)-3-Phenylsulfanyl-but-2-enoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.