3-Butene-1-thiol
TL;DR: 3-Butene-1-thiol (CAS 5954-70-1) is a chemical compound with molecular formula C4H8S and molecular weight 88.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-3-ene-1-thiol
Also Known As: 3-Butene-1-thiol, But-3-ene-1-thiol, but-1-ene-4-thiol
| Molecular Formula | C4H8S |
|---|---|
| Molecular Weight | 88.03 g/mol |
| LogP | 1.4923 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 88.03467 |
| Heavy Atoms | 5 |
| Complexity | 24.828922 |
Chemical Identifiers
| CAS Number | 5954-70-1 |
|---|---|
| SMILES | C=CCCS |
Product Overview
3-Butene-1-thiol (CAS 5954-70-1), with molecular formula C4H8S and molecular weight 88.03 g/mol. IUPAC: but-3-ene-1-thiol.
Chemical Property Profile of 3-Butene-1-thiol
Property Insights of 3-Butene-1-thiol
The XLogP value of 1.4923 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butene-1-thiol. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Butene-1-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butene-1-thiol has 1 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 3-Butene-1-thiol?
The CAS number of 3-Butene-1-thiol is 5954-70-1.
What is the molecular formula of 3-Butene-1-thiol?
The molecular formula of 3-Butene-1-thiol is C4H8S.
What is the molecular weight of 3-Butene-1-thiol?
The molecular weight of 3-Butene-1-thiol is 88.03 g/mol.
Where can I buy 3-Butene-1-thiol?
You can request a quote for 3-Butene-1-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butene-1-thiol?
Yes, KEHONG BIO provides custom synthesis services for 3-Butene-1-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.