2-Methylhexane-2-thiol
TL;DR: 2-Methylhexane-2-thiol (CAS 1812-50-6) is a chemical compound with molecular formula C7H16S and molecular weight 132.09727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylhexane-2-thiol
Also Known As: 2-Methylhexane-2-thiol, cyclopentolate, tert-Heptyl mercaptan, 2-Methyl-2-hexanethiol, 2-Methyl-2-hexylthiol
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H16S |
| Molecular Weight | 132.09727 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 132.09727 Da |
| Heavy Atoms | 8 |
| Complexity | 57.0 |
| SMILES | CCCCC(C)(C)S |
| InChIKey | VLZUBQRSSRDWOK-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methylhexane-2-thiol
Property Insights of 2-Methylhexane-2-thiol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylhexane-2-thiol. With a topological polar surface area (TPSA) of 1.0 Ų, 2-Methylhexane-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylhexane-2-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
What is the CAS number of 2-Methylhexane-2-thiol?
The CAS number of 2-Methylhexane-2-thiol is 1812-50-6.
What is the molecular formula of 2-Methylhexane-2-thiol?
The molecular formula of 2-Methylhexane-2-thiol is C7H16S.
What is the molecular weight of 2-Methylhexane-2-thiol?
The molecular weight of 2-Methylhexane-2-thiol is 132.09727 g/mol.
Where can I buy 2-Methylhexane-2-thiol?
You can request a quote for 2-Methylhexane-2-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methylhexane-2-thiol?
Yes, CoreyChem provides custom synthesis services for 2-Methylhexane-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.