2,4,4,6,6-Pentamethylheptane-2-thiol
TL;DR: 2,4,4,6,6-Pentamethylheptane-2-thiol (CAS 23511-76-4) is a chemical compound with molecular formula C12H26S and molecular weight 202.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,4,6,6-pentamethylheptane-2-thiol
Also Known As: 2,4,4,6,6-pentamethylheptane-2-thiol, 2,4,4,6,6-Pentamethyl-2-heptanethiol, 2-Heptanethiol, 2,4,4,6,6-pentamethyl-, 2-Mercapto-2.4.4.6.6-pentamethyl-heptan
| Molecular Formula | C12H26S |
|---|---|
| Molecular Weight | 202.18 g/mol |
| LogP | 4.5473 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.17552 |
| Heavy Atoms | 13 |
| Complexity | 136.94374 |
Chemical Identifiers
| CAS Number | 23511-76-4 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)CC(C)(C)S |
Product Overview
2,4,4,6,6-Pentamethylheptane-2-thiol (CAS 23511-76-4), with molecular formula C12H26S and molecular weight 202.18 g/mol. IUPAC: 2,4,4,6,6-pentamethylheptane-2-thiol.
Chemical Property Profile of 2,4,4,6,6-Pentamethylheptane-2-thiol
Property Insights of 2,4,4,6,6-Pentamethylheptane-2-thiol
The XLogP value of 4.5473 indicates that 2,4,4,6,6-Pentamethylheptane-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,4,4,6,6-Pentamethylheptane-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,4,6,6-Pentamethylheptane-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
Frequently Asked Questions
What is the CAS number of 2,4,4,6,6-Pentamethylheptane-2-thiol?
The CAS number of 2,4,4,6,6-Pentamethylheptane-2-thiol is 23511-76-4.
What is the molecular formula of 2,4,4,6,6-Pentamethylheptane-2-thiol?
The molecular formula of 2,4,4,6,6-Pentamethylheptane-2-thiol is C12H26S.
What is the molecular weight of 2,4,4,6,6-Pentamethylheptane-2-thiol?
The molecular weight of 2,4,4,6,6-Pentamethylheptane-2-thiol is 202.18 g/mol.
Where can I buy 2,4,4,6,6-Pentamethylheptane-2-thiol?
You can request a quote for 2,4,4,6,6-Pentamethylheptane-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,4,6,6-Pentamethylheptane-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 2,4,4,6,6-Pentamethylheptane-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.