3-Thia-1-hexanethiol
TL;DR: 3-Thia-1-hexanethiol (CAS 26733-37-9) is a chemical compound with molecular formula C5H12S2 and molecular weight 136.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propylsulfanylethanethiol
Also Known As: 3-Thia-1-hexanethiol, 2-propylsulfanyl-ethanethiol, 2-propylsulfanylethanethiol
| Molecular Formula | C5H12S2 |
|---|---|
| Molecular Weight | 136.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 136.03804 |
| Heavy Atoms | 7 |
| Complexity | 29.0 |
Chemical Identifiers
| CAS Number | 26733-37-9 |
|---|---|
| SMILES | CCCSCCS |
| InChIKey | ZTLMBCCGUMJDFH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Thia-1-hexanethiol (CAS 26733-37-9), with molecular formula C5H12S2 and molecular weight 136.04 g/mol. IUPAC: 2-propylsulfanylethanethiol.
Chemical Property Profile of 3-Thia-1-hexanethiol
Property Insights of 3-Thia-1-hexanethiol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Thia-1-hexanethiol. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Thia-1-hexanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Thia-1-hexanethiol 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 3-Thia-1-hexanethiol?
The CAS number of 3-Thia-1-hexanethiol is 26733-37-9.
What is the molecular formula of 3-Thia-1-hexanethiol?
The molecular formula of 3-Thia-1-hexanethiol is C5H12S2.
What is the molecular weight of 3-Thia-1-hexanethiol?
The molecular weight of 3-Thia-1-hexanethiol is 136.04 g/mol.
Where can I buy 3-Thia-1-hexanethiol?
You can request a quote for 3-Thia-1-hexanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Thia-1-hexanethiol?
Yes, KEHONG BIO provides custom synthesis services for 3-Thia-1-hexanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.