Acetic acid, (phenylthio)-, 1-methylethyl ester
TL;DR: Acetic acid, (phenylthio)-, 1-methylethyl ester (CAS 135082-37-0) is a chemical compound with molecular formula C11H14O2S and molecular weight 210.07146 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl 2-phenylsulfanylacetate
Also Known As: Isopropyl (phenylthio)acetate, Propan-2-yl 2-phenylsulfanylacetate, Propan-2-yl (phenylsulfanyl)acetate, Acetic acid, (phenylthio)-, 1-methylethyl ester, propan-2-yl 2-(phenylsulfanyl)acetate
Technical Specifications
| Molecular Formula | C11H14O2S |
| Molecular Weight | 210.07146 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.07146 Da |
| Heavy Atoms | 14 |
| Complexity | 174.0 |
| SMILES | CC(C)OC(=O)CSC1=CC=CC=C1 |
| InChIKey | VECQXVQFEJGAAH-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, (phenylthio)-, 1-methylethyl ester
Property Insights of Acetic acid, (phenylthio)-, 1-methylethyl ester
The XLogP value of 3.0 indicates that Acetic acid, (phenylthio)-, 1-methylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, Acetic acid, (phenylthio)-, 1-methylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, (phenylthio)-, 1-methylethyl 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 Acetic acid, (phenylthio)-, 1-methylethyl ester?
The CAS number of Acetic acid, (phenylthio)-, 1-methylethyl ester is 135082-37-0.
What is the molecular formula of Acetic acid, (phenylthio)-, 1-methylethyl ester?
The molecular formula of Acetic acid, (phenylthio)-, 1-methylethyl ester is C11H14O2S.
What is the molecular weight of Acetic acid, (phenylthio)-, 1-methylethyl ester?
The molecular weight of Acetic acid, (phenylthio)-, 1-methylethyl ester is 210.07146 g/mol.
Where can I buy Acetic acid, (phenylthio)-, 1-methylethyl ester?
You can request a quote for Acetic acid, (phenylthio)-, 1-methylethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, (phenylthio)-, 1-methylethyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, (phenylthio)-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.