3-Methyl-3-hexanethiol
TL;DR: 3-Methyl-3-hexanethiol (CAS 73775-71-0) is a chemical compound with molecular formula C7H16S and molecular weight 132.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylhexane-3-thiol
Also Known As: 3-Methylhexane-3-thiol, 3-Hexanethiol,3-methyl-, 3-Methyl-3-hexanethiol, EINECS 277-603-2, 277-603-2
| Molecular Formula | C7H16S |
|---|---|
| Molecular Weight | 132.10 g/mol |
| LogP | 2.885 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 132.09727 |
| Heavy Atoms | 8 |
| Complexity | 57.407166 |
Chemical Identifiers
| CAS Number | 73775-71-0 |
|---|---|
| SMILES | CCCC(C)(CC)S |
Product Overview
3-Methyl-3-hexanethiol (CAS 73775-71-0), with molecular formula C7H16S and molecular weight 132.10 g/mol. IUPAC: 3-methylhexane-3-thiol.
Chemical Property Profile of 3-Methyl-3-hexanethiol
Property Insights of 3-Methyl-3-hexanethiol
The XLogP value of 2.885 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-3-hexanethiol. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Methyl-3-hexanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-3-hexanethiol 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 3-Methyl-3-hexanethiol?
The CAS number of 3-Methyl-3-hexanethiol is 73775-71-0.
What is the molecular formula of 3-Methyl-3-hexanethiol?
The molecular formula of 3-Methyl-3-hexanethiol is C7H16S.
What is the molecular weight of 3-Methyl-3-hexanethiol?
The molecular weight of 3-Methyl-3-hexanethiol is 132.10 g/mol.
Where can I buy 3-Methyl-3-hexanethiol?
You can request a quote for 3-Methyl-3-hexanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-3-hexanethiol?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-3-hexanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.