3-(4-甲基苯基)-2-巯基丙烯酸
TL;DR: 3-(4-甲基苯基)-2-巯基丙烯酸 (CAS 93515-29-8) is a chemical compound with molecular formula C10H10O2S and molecular weight 194.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-甲基苯基)-2-巯基丙烯酸
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)-
| Molecular Formula | C10H10O2S |
|---|---|
| Molecular Weight | 194.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.04015 |
| Heavy Atoms | 13 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 93515-29-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C=C(C(=O)O)S |
| InChIKey | HHJHEOPZAVVWPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-甲基苯基)-2-巯基丙烯酸 (CAS 93515-29-8), with molecular formula C10H10O2S and molecular weight 194.04 g/mol. IUPAC: 3-(4-methylphenyl)-2-sulfanylprop-2-enoic acid.
Chemical Property Profile of 3-(4-甲基苯基)-2-巯基丙烯酸
Property Insights of 3-(4-甲基苯基)-2-巯基丙烯酸
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-甲基苯基)-2-巯基丙烯酸. With a topological polar surface area (TPSA) of 38.3 Ų, 3-(4-甲基苯基)-2-巯基丙烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-甲基苯基)-2-巯基丙烯酸 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
Frequently Asked Questions
What is the CAS number of 3-(4-甲基苯基)-2-巯基丙烯酸?
The CAS number of 3-(4-甲基苯基)-2-巯基丙烯酸 is 93515-29-8.
What is the molecular formula of 3-(4-甲基苯基)-2-巯基丙烯酸?
The molecular formula of 3-(4-甲基苯基)-2-巯基丙烯酸 is C10H10O2S.
What is the molecular weight of 3-(4-甲基苯基)-2-巯基丙烯酸?
The molecular weight of 3-(4-甲基苯基)-2-巯基丙烯酸 is 194.04 g/mol.
Where can I buy 3-(4-甲基苯基)-2-巯基丙烯酸?
You can request a quote for 3-(4-甲基苯基)-2-巯基丙烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-甲基苯基)-2-巯基丙烯酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-甲基苯基)-2-巯基丙烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.