5,5-Dimethylhexane-1-thiol
TL;DR: 5,5-Dimethylhexane-1-thiol (CAS 7341-16-4) is a chemical compound with molecular formula C8H18S and molecular weight 146.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethylhexane-1-thiol
Also Known As: tert-Octyl mercaptan, 5,5-dimethylhexane-1-thiol
| Molecular Formula | C8H18S |
|---|---|
| Molecular Weight | 146.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 146.11292 |
| Heavy Atoms | 9 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 7341-16-4 |
|---|---|
| SMILES | CC(C)(C)CCCCS |
| InChIKey | YBZXKSZKVDFBJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,5-Dimethylhexane-1-thiol (CAS 7341-16-4), with molecular formula C8H18S and molecular weight 146.11 g/mol. IUPAC: 5,5-dimethylhexane-1-thiol.
Chemical Property Profile of 5,5-Dimethylhexane-1-thiol
Property Insights of 5,5-Dimethylhexane-1-thiol
The XLogP value of 3.5 indicates that 5,5-Dimethylhexane-1-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 5,5-Dimethylhexane-1-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Dimethylhexane-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 5,5-Dimethylhexane-1-thiol?
The CAS number of 5,5-Dimethylhexane-1-thiol is 7341-16-4.
What is the molecular formula of 5,5-Dimethylhexane-1-thiol?
The molecular formula of 5,5-Dimethylhexane-1-thiol is C8H18S.
What is the molecular weight of 5,5-Dimethylhexane-1-thiol?
The molecular weight of 5,5-Dimethylhexane-1-thiol is 146.11 g/mol.
Where can I buy 5,5-Dimethylhexane-1-thiol?
You can request a quote for 5,5-Dimethylhexane-1-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Dimethylhexane-1-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethylhexane-1-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.