Acrylic acid, 3-(phenylthio)-, ethyl ester
TL;DR: Acrylic acid, 3-(phenylthio)-, ethyl ester (CAS 75717-36-1) is a chemical compound with molecular formula C11H12O2S and molecular weight 208.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-3-phenylsulfanylprop-2-enoate
Also Known As: 3-(Phenylthio)acrylic acid ethyl ester, ethyl (Z)-3-(phenylsulfanyl)propenoate, ethyl (Z)-3-phenylsulfanylprop-2-enoate, ACRYLIC ACID, 3-(PHENYLTHIO)-, ETHYL ESTER, (Z)-3-(Phenylthio)acrylic acid ethyl ester
| Molecular Formula | C11H12O2S |
|---|---|
| Molecular Weight | 208.06 g/mol |
| LogP | 2.8555 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.0558 |
| Heavy Atoms | 14 |
| Complexity | 306.3234 |
Chemical Identifiers
| CAS Number | 75717-36-1 |
|---|---|
| SMILES | CCOC(=O)/C=C\SC1=CC=CC=C1 |
Product Overview
Acrylic acid, 3-(phenylthio)-, ethyl ester (CAS 75717-36-1), with molecular formula C11H12O2S and molecular weight 208.06 g/mol. IUPAC: ethyl (Z)-3-phenylsulfanylprop-2-enoate.
Chemical Property Profile of Acrylic acid, 3-(phenylthio)-, ethyl ester
Property Insights of Acrylic acid, 3-(phenylthio)-, ethyl ester
The XLogP value of 2.8555 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acrylic acid, 3-(phenylthio)-, ethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Acrylic acid, 3-(phenylthio)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acrylic acid, 3-(phenylthio)-, ethyl 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
Frequently Asked Questions
What is the CAS number of Acrylic acid, 3-(phenylthio)-, ethyl ester?
The CAS number of Acrylic acid, 3-(phenylthio)-, ethyl ester is 75717-36-1.
What is the molecular formula of Acrylic acid, 3-(phenylthio)-, ethyl ester?
The molecular formula of Acrylic acid, 3-(phenylthio)-, ethyl ester is C11H12O2S.
What is the molecular weight of Acrylic acid, 3-(phenylthio)-, ethyl ester?
The molecular weight of Acrylic acid, 3-(phenylthio)-, ethyl ester is 208.06 g/mol.
Where can I buy Acrylic acid, 3-(phenylthio)-, ethyl ester?
You can request a quote for Acrylic acid, 3-(phenylthio)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acrylic acid, 3-(phenylthio)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acrylic acid, 3-(phenylthio)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.