tert-OCTYL MERCAPTAN
TL;DR: tert-OCTYL MERCAPTAN (CAS 141-59-3) is a chemical compound with molecular formula C8H18S and molecular weight 146.11292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4,4-trimethylpentane-2-thiol
Also Known As: tert-Octanethiol, tert-Octyl mercaptan, T-OCTYL MERCAPTAN, terc. Oktanthiol, T-octanethiol
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H18S |
| Molecular Weight | 146.11292 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 146.11292 Da |
| Heavy Atoms | 9 |
| Complexity | 87.0 |
| Melting Point | -74 °C |
| Boiling Point | 154-166 °C |
| Density | 0.848 at 15.5 °C |
| Flash Point | 115 °F (46 °C) (Open cup) |
| Vapor Pressure | 4.93 [mmHg] |
| Refractive Index | Index of refraction = 1.454 at 20 °C/D |
| Solubility | Solubility in water: none |
| SMILES | CC(C)(C)CC(C)(C)S |
| InChIKey | QZLAEIZEPJAELS-UHFFFAOYSA-N |
Product Description
Applications: tert-OCTYL MERCAPTAN is used in polymer chemistry and functional materials synthesis, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A polymer intermediate supplied by CoreyChem, tert-OCTYL MERCAPTAN (CAS 141-59-3) has the molecular formula C8H18S and a molecular weight of 146.11 g/mol. Reported properties include a density of 0.848 at 15.5 °C g/cm³, a solubility: Solubility in water: none. Synonyms include tert-Octanethiol and tert-Octyl mercaptan.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 146.11292 g/mol.
What are the applications of tert-OCTYL MERCAPTAN?
tert-OCTYL MERCAPTAN is used in polymer chemistry and functional materials synthesis, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy tert-OCTYL MERCAPTAN?
You can request a quote for tert-OCTYL MERCAPTAN directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-OCTYL MERCAPTAN?
Yes, CoreyChem provides custom synthesis services for tert-OCTYL MERCAPTAN and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.