tert-Nonanethiol
TL;DR: tert-Nonanethiol (CAS 55646-15-6) is a chemical compound with molecular formula C9H20S and molecular weight 160.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyloctane-2-thiol
Also Known As: tert-Nonanethiol, tert-Nonyl mercaptan, 2-methyloctane-2-thiol, 1,1-Dimethylheptanethiol, TERT-NONYLMERCAPTAN
| Molecular Formula | C9H20S |
|---|---|
| Molecular Weight | 160.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 160.12857 |
| Heavy Atoms | 10 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 55646-15-6 |
|---|---|
| SMILES | CCCCCCC(C)(C)S |
| InChIKey | MPBLPZLNKKGCGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Nonanethiol (CAS 55646-15-6), with molecular formula C9H20S and molecular weight 160.13 g/mol. IUPAC: 2-methyloctane-2-thiol.
Chemical Property Profile of tert-Nonanethiol
Property Insights of tert-Nonanethiol
The XLogP value of 4.0 indicates that tert-Nonanethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, tert-Nonanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Nonanethiol 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 tert-Nonanethiol?
The CAS number of tert-Nonanethiol is 55646-15-6.
What is the molecular formula of tert-Nonanethiol?
The molecular formula of tert-Nonanethiol is C9H20S.
What is the molecular weight of tert-Nonanethiol?
The molecular weight of tert-Nonanethiol is 160.13 g/mol.
Where can I buy tert-Nonanethiol?
You can request a quote for tert-Nonanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Nonanethiol?
Yes, KEHONG BIO provides custom synthesis services for tert-Nonanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.