2-Methylundecane-2-thiol
TL;DR: 2-Methylundecane-2-thiol (CAS 10059-13-9) 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-methylundecane-2-thiol
Also Known As: 2-Methylundecane-2-thiol, tert-Dodecylmercaptan, tert-Dodecylthiol, 2-methyl-2-undecanethiol, 2-Undecanethiol, 2-methyl-
| Molecular Formula | C12H26S |
|---|---|
| Molecular Weight | 202.18 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Exact Mass | 202.17552 |
| Heavy Atoms | 13 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 10059-13-9 |
|---|---|
| SMILES | CCCCCCCCCC(C)(C)S |
| InChIKey | FRQQKWGDKVGLFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylundecane-2-thiol (CAS 10059-13-9), with molecular formula C12H26S and molecular weight 202.18 g/mol. IUPAC: 2-methylundecane-2-thiol.
Chemical Property Profile of 2-Methylundecane-2-thiol
Property Insights of 2-Methylundecane-2-thiol
The XLogP value of 5.6 indicates that 2-Methylundecane-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 2-Methylundecane-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylundecane-2-thiol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Methylundecane-2-thiol?
The CAS number of 2-Methylundecane-2-thiol is 10059-13-9.
What is the molecular formula of 2-Methylundecane-2-thiol?
The molecular formula of 2-Methylundecane-2-thiol is C12H26S.
What is the molecular weight of 2-Methylundecane-2-thiol?
The molecular weight of 2-Methylundecane-2-thiol is 202.18 g/mol.
Where can I buy 2-Methylundecane-2-thiol?
You can request a quote for 2-Methylundecane-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-Methylundecane-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylundecane-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.