3-Hexanethiol
TL;DR: 3-Hexanethiol (CAS 1633-90-5) is a chemical compound with molecular formula C6H14S and molecular weight 118.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexane-3-thiol
Also Known As: Hexane-3-thiol, 3-Hexanethiol, 3-Mercaptohexane, 3-hexanthiol, 3-Mercapto-hexan
| Molecular Formula | C6H14S |
|---|---|
| Molecular Weight | 118.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 118.08162 |
| Heavy Atoms | 7 |
| Complexity | 35.0 |
Chemical Identifiers
| CAS Number | 1633-90-5 |
|---|---|
| SMILES | CCCC(CC)S |
| InChIKey | VOIGMFQJDZTEKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hexanethiol (CAS 1633-90-5), with molecular formula C6H14S and molecular weight 118.08 g/mol. IUPAC: hexane-3-thiol.
Chemical Property Profile of 3-Hexanethiol
Property Insights of 3-Hexanethiol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hexanethiol. With a topological polar surface area (TPSA) of 1.0 Ų, 3-Hexanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hexanethiol 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-Hexanethiol?
The CAS number of 3-Hexanethiol is 1633-90-5.
What is the molecular formula of 3-Hexanethiol?
The molecular formula of 3-Hexanethiol is C6H14S.
What is the molecular weight of 3-Hexanethiol?
The molecular weight of 3-Hexanethiol is 118.08 g/mol.
Where can I buy 3-Hexanethiol?
You can request a quote for 3-Hexanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hexanethiol?
Yes, KEHONG BIO provides custom synthesis services for 3-Hexanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.