tert-OCTYL MERCAPTAN
TL;DR: tert-OCTYL MERCAPTAN (CAS 141-59-3) 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.
2,4,4-trimethylpentane-2-thiol
Also Known As: tert-Octanethiol, tert-Octyl mercaptan, T-OCTYL MERCAPTAN, terc. Oktanthiol, T-octanethiol
| Molecular Formula | C8H18S |
|---|---|
| Molecular Weight | 146.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 146.11292 |
| Heavy Atoms | 9 |
| Complexity | 87.0 |
| Melting Point | -74 °C |
| Boiling Point | 154-166 °C |
| Density | 0.848 at 15.5 °C |
| Solubility | Solubility in water: none |
| Flash Point | 46.1 °C (46 °C) (Open cup) |
| Vapor Pressure | 4.93 [mmHg] |
| Refractive Index | = 1.454 at 20 °C |
Chemical Identifiers
| CAS Number | 141-59-3 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)S |
| InChIKey | QZLAEIZEPJAELS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-OCTYL MERCAPTAN (CAS 141-59-3), with molecular formula C8H18S and molecular weight 146.11 g/mol. IUPAC: 2,4,4-trimethylpentane-2-thiol.
Chemical Property Profile of tert-OCTYL MERCAPTAN
Property Insights of tert-OCTYL MERCAPTAN
The XLogP value of 3.2 indicates that tert-OCTYL MERCAPTAN 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-OCTYL MERCAPTAN exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-OCTYL MERCAPTAN 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-OCTYL MERCAPTAN?
The CAS number of tert-OCTYL MERCAPTAN is 141-59-3.
What is the molecular formula of tert-OCTYL MERCAPTAN?
The molecular formula of tert-OCTYL MERCAPTAN is C8H18S.
What is the molecular weight of tert-OCTYL MERCAPTAN?
The molecular weight of tert-OCTYL MERCAPTAN is 146.11 g/mol.
Where can I buy tert-OCTYL MERCAPTAN?
You can request a quote for tert-OCTYL MERCAPTAN directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-OCTYL MERCAPTAN?
Yes, KEHONG BIO provides custom synthesis services for tert-OCTYL MERCAPTAN and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.