2-Propenethial
TL;DR: 2-Propenethial (CAS 81788-93-4) is a chemical compound with molecular formula C3H4S and molecular weight 72.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enethial
Also Known As: Thioacrolein, prop-2-enethial, Propenethial, 2-Propenethial, thioacrylaldehyde
| Molecular Formula | C3H4S |
|---|---|
| Molecular Weight | 72.00 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 72.00337 |
| Heavy Atoms | 4 |
| Complexity | 30.0 |
Chemical Identifiers
| CAS Number | 81788-93-4 |
|---|---|
| SMILES | C=CC=S |
| InChIKey | GPRPXLGCWOJFQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenethial (CAS 81788-93-4), with molecular formula C3H4S and molecular weight 72.00 g/mol. IUPAC: prop-2-enethial.
Chemical Property Profile of 2-Propenethial
Property Insights of 2-Propenethial
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenethial. With a topological polar surface area (TPSA) of 32.1 Ų, 2-Propenethial exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenethial has 0 hydrogen bond donor(s) and 1 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 2-Propenethial?
The CAS number of 2-Propenethial is 81788-93-4.
What is the molecular formula of 2-Propenethial?
The molecular formula of 2-Propenethial is C3H4S.
What is the molecular weight of 2-Propenethial?
The molecular weight of 2-Propenethial is 72.00 g/mol.
Where can I buy 2-Propenethial?
You can request a quote for 2-Propenethial directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenethial?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenethial and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.