4-Sulfanylpent-3-en-2-one
TL;DR: 4-Sulfanylpent-3-en-2-one (CAS 73059-87-7) is a chemical compound with molecular formula C5H8OS and molecular weight 116.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-sulfanylpent-3-en-2-one
Also Known As: 4-sulfanylpent-3-en-2-one, 3-Penten-2-one, 4-mercapto-, (Z)-4-Hydroxy-3-penten-2-thione, (3Z)-4-HYDROXY-3-PENTENE-2-THIONE, 3-Penten-2-one, 4-mercapto- (7CI,8CI,9CI)
| Molecular Formula | C5H8OS |
|---|---|
| Molecular Weight | 116.03 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 18.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 116.02959 |
| Heavy Atoms | 7 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 73059-87-7 |
|---|---|
| SMILES | CC(=CC(=O)C)S |
| InChIKey | VGSRLNPOIBVYCM-UHFFFAOYSA-N |
Product Overview
4-Sulfanylpent-3-en-2-one (CAS 73059-87-7), with molecular formula C5H8OS and molecular weight 116.03 g/mol. IUPAC: 4-sulfanylpent-3-en-2-one.
Chemical Property Profile of 4-Sulfanylpent-3-en-2-one
Property Insights of 4-Sulfanylpent-3-en-2-one
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Sulfanylpent-3-en-2-one. With a topological polar surface area (TPSA) of 18.1 Ų, 4-Sulfanylpent-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Sulfanylpent-3-en-2-one has 1 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 4-Sulfanylpent-3-en-2-one?
The CAS number of 4-Sulfanylpent-3-en-2-one is 73059-87-7.
What is the molecular formula of 4-Sulfanylpent-3-en-2-one?
The molecular formula of 4-Sulfanylpent-3-en-2-one is C5H8OS.
What is the molecular weight of 4-Sulfanylpent-3-en-2-one?
The molecular weight of 4-Sulfanylpent-3-en-2-one is 116.03 g/mol.
Where can I buy 4-Sulfanylpent-3-en-2-one?
You can request a quote for 4-Sulfanylpent-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Sulfanylpent-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Sulfanylpent-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.