(2E)-3-(pyridin-3-yl)-2-sulfanylprop-2-enoic acid
TL;DR: (2E)-3-(pyridin-3-yl)-2-sulfanylprop-2-enoic acid (CAS 370587-22-7) is a chemical compound with molecular formula C8H7NO2S and molecular weight 181.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-pyridin-3-yl-2-sulfanylprop-2-enoic acid
Also Known As: US12377086, Compound 5, (E)-2-mercapto-3-(pyridin-3-yl)acrylic acid, 3-pyridin-3-yl-2-sulfanyl-prop-2-enoic Acid, (E)-3-pyridin-3-yl-2-sulfanylprop-2-enoic acid, (2E)-3-(pyridin-3-yl)-2-sulfanylprop-2-enoic acid
| Molecular Formula | C8H7NO2S |
|---|---|
| Molecular Weight | 181.02 g/mol |
| LogP | 1.4369 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.01974 |
| Heavy Atoms | 12 |
| Complexity | 308.09372 |
Chemical Identifiers
| CAS Number | 370587-22-7 |
|---|---|
| SMILES | C1=CC(=CN=C1)/C=C(\C(=O)O)/S |
Product Overview
(2E)-3-(pyridin-3-yl)-2-sulfanylprop-2-enoic acid (CAS 370587-22-7), with molecular formula C8H7NO2S and molecular weight 181.02 g/mol. IUPAC: (E)-3-pyridin-3-yl-2-sulfanylprop-2-enoic acid.
Chemical Property Profile of (2E)-3-(pyridin-3-yl)-2-sulfanylprop-2-enoic acid
Property Insights of (2E)-3-(pyridin-3-yl)-2-sulfanylprop-2-enoic acid
The XLogP value of 1.4369 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(pyridin-3-yl)-2-sulfanylprop-2-enoic acid. With a topological polar surface area (TPSA) of 50.19 Ų, (2E)-3-(pyridin-3-yl)-2-sulfanylprop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(pyridin-3-yl)-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
Frequently Asked Questions
What is the CAS number of (2E)-3-(pyridin-3-yl)-2-sulfanylprop-2-enoic acid?
The CAS number of (2E)-3-(pyridin-3-yl)-2-sulfanylprop-2-enoic acid is 370587-22-7.
What is the molecular formula of (2E)-3-(pyridin-3-yl)-2-sulfanylprop-2-enoic acid?
The molecular formula of (2E)-3-(pyridin-3-yl)-2-sulfanylprop-2-enoic acid is C8H7NO2S.
What is the molecular weight of (2E)-3-(pyridin-3-yl)-2-sulfanylprop-2-enoic acid?
The molecular weight of (2E)-3-(pyridin-3-yl)-2-sulfanylprop-2-enoic acid is 181.02 g/mol.
Where can I buy (2E)-3-(pyridin-3-yl)-2-sulfanylprop-2-enoic acid?
You can request a quote for (2E)-3-(pyridin-3-yl)-2-sulfanylprop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(pyridin-3-yl)-2-sulfanylprop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(pyridin-3-yl)-2-sulfanylprop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.