3-(2-Sulfanylidene-1-pyridinyl)prop-2-enal
TL;DR: 3-(2-Sulfanylidene-1-pyridinyl)prop-2-enal (CAS 906718-25-0) is a chemical compound with molecular formula C8H7NOS and molecular weight 165.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-sulfanylidene-1-pyridinyl)prop-2-enal
Also Known As: 3-(2-sulfanylidenepyridin-1-yl)prop-2-enal, 2-Propenal, 3-(2-thioxo-1(2H)-pyridinyl)-
| Molecular Formula | C8H7NOS |
|---|---|
| Molecular Weight | 165.02 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 52.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.02484 |
| Heavy Atoms | 11 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 906718-25-0 |
|---|---|
| SMILES | C1=CC(=S)N(C=C1)C=CC=O |
| InChIKey | VIIHLXALIPMCGZ-UHFFFAOYSA-N |
Product Overview
3-(2-Sulfanylidene-1-pyridinyl)prop-2-enal (CAS 906718-25-0), with molecular formula C8H7NOS and molecular weight 165.02 g/mol. IUPAC: 3-(2-sulfanylidene-1-pyridinyl)prop-2-enal.
Chemical Property Profile of 3-(2-Sulfanylidene-1-pyridinyl)prop-2-enal
Property Insights of 3-(2-Sulfanylidene-1-pyridinyl)prop-2-enal
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Sulfanylidene-1-pyridinyl)prop-2-enal. With a topological polar surface area (TPSA) of 52.4 Ų, 3-(2-Sulfanylidene-1-pyridinyl)prop-2-enal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Sulfanylidene-1-pyridinyl)prop-2-enal has 0 hydrogen bond donor(s) and 2 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-(2-Sulfanylidene-1-pyridinyl)prop-2-enal?
The CAS number of 3-(2-Sulfanylidene-1-pyridinyl)prop-2-enal is 906718-25-0.
What is the molecular formula of 3-(2-Sulfanylidene-1-pyridinyl)prop-2-enal?
The molecular formula of 3-(2-Sulfanylidene-1-pyridinyl)prop-2-enal is C8H7NOS.
What is the molecular weight of 3-(2-Sulfanylidene-1-pyridinyl)prop-2-enal?
The molecular weight of 3-(2-Sulfanylidene-1-pyridinyl)prop-2-enal is 165.02 g/mol.
Where can I buy 3-(2-Sulfanylidene-1-pyridinyl)prop-2-enal?
You can request a quote for 3-(2-Sulfanylidene-1-pyridinyl)prop-2-enal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Sulfanylidene-1-pyridinyl)prop-2-enal?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Sulfanylidene-1-pyridinyl)prop-2-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.