3-(4-Methylphenyl)-2-sulfanylprop-2-enoic acid
TL;DR: 3-(4-Methylphenyl)-2-sulfanylprop-2-enoic acid (CAS 93515-29-8) is a chemical compound with molecular formula C10H10O2S and molecular weight 194.04015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-methylphenyl)-2-sulfanylprop-2-enoic acid
Also Known As: 2-mercapto-3-p-tolylacrylic acid, 3-(4-methylphenyl)-2-sulfanylprop-2-enoic acid, 3-(4-methylphenyl)-2-sulfanyl-prop-2-enoic Acid, 2-Propenoic acid, 2-mercapto-3-(4-methylphenyl)-, (2Z)-
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H10O2S |
| Molecular Weight | 194.04015 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.04015 Da |
| Heavy Atoms | 13 |
| Complexity | 215.0 |
| SMILES | CC1=CC=C(C=C1)C=C(C(=O)O)S |
| InChIKey | HHJHEOPZAVVWPK-UHFFFAOYSA-N |
Product Description
Applications: 3-(4-Methylphenyl)-2-sulfanylprop-2-enoic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
3-(4-Methylphenyl)-2-sulfanylprop-2-enoic acid is a heterocyclic building block identified by CAS number 93515-29-8 and the molecular formula C10H10O2S and a molecular weight of 194.04 g/mol. Synonyms include ACMC-20lxpo and 2-mercapto-3-p-tolylacrylic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-(4-Methylphenyl)-2-sulfanylprop-2-enoic acid
Property Insights of 3-(4-Methylphenyl)-2-sulfanylprop-2-enoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methylphenyl)-2-sulfanylprop-2-enoic acid. With a topological polar surface area (TPSA) of 38.3 Ų, 3-(4-Methylphenyl)-2-sulfanylprop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methylphenyl)-2-sulfanylprop-2-enoic acid has 2 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 3-(4-Methylphenyl)-2-sulfanylprop-2-enoic acid?
The CAS number of 3-(4-Methylphenyl)-2-sulfanylprop-2-enoic acid is 93515-29-8.
What is the molecular formula of 3-(4-Methylphenyl)-2-sulfanylprop-2-enoic acid?
The molecular formula of 3-(4-Methylphenyl)-2-sulfanylprop-2-enoic acid is C10H10O2S.
What is the molecular weight of 3-(4-Methylphenyl)-2-sulfanylprop-2-enoic acid?
The molecular weight of 3-(4-Methylphenyl)-2-sulfanylprop-2-enoic acid is 194.04015 g/mol.
What are the applications of 3-(4-Methylphenyl)-2-sulfanylprop-2-enoic acid?
3-(4-Methylphenyl)-2-sulfanylprop-2-enoic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton...
Where can I buy 3-(4-Methylphenyl)-2-sulfanylprop-2-enoic acid?
You can request a quote for 3-(4-Methylphenyl)-2-sulfanylprop-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Methylphenyl)-2-sulfanylprop-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(4-Methylphenyl)-2-sulfanylprop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.