But-2-enethiol
TL;DR: But-2-enethiol (CAS 5954-72-3) 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-2-ene-1-thiol
Also Known As: crotyl mercaptan, but-2-enethiol, 2-BUTENE-1-THIOL, cis-2-Butene sulfide, BUT-2-ENE-1-THIOL
| Molecular Formula | C4H8S |
|---|---|
| Molecular Weight | 88.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 88.03467 |
| Heavy Atoms | 5 |
| Complexity | 30.0 |
Chemical Identifiers
| CAS Number | 5954-72-3 |
|---|---|
| SMILES | CC=CCS |
| InChIKey | PSKWBKFCLVNPMT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
But-2-enethiol (CAS 5954-72-3), with molecular formula C4H8S and molecular weight 88.03 g/mol. IUPAC: but-2-ene-1-thiol.
Chemical Property Profile of But-2-enethiol
Property Insights of But-2-enethiol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for But-2-enethiol. With a topological polar surface area (TPSA) of 1.0 Ų, But-2-enethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, But-2-enethiol 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 But-2-enethiol?
The CAS number of But-2-enethiol is 5954-72-3.
What is the molecular formula of But-2-enethiol?
The molecular formula of But-2-enethiol is C4H8S.
What is the molecular weight of But-2-enethiol?
The molecular weight of But-2-enethiol is 88.03 g/mol.
Where can I buy But-2-enethiol?
You can request a quote for But-2-enethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for But-2-enethiol?
Yes, KEHONG BIO provides custom synthesis services for But-2-enethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.