3-Ethylpentane-3-thiol
TL;DR: 3-Ethylpentane-3-thiol (CAS 5827-80-5) 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-ethylpentane-3-thiol
Also Known As: 3-Ethylpentane-3-thiol, 3-ETHYL-3-PENTANETHIOL, tert-Heptanethiol, Et3CSH, TERT-HEPTYLMERCAPTAN
| Molecular Formula | C7H16S |
|---|---|
| Molecular Weight | 132.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 132.09727 |
| Heavy Atoms | 8 |
| Complexity | 47.0 |
Chemical Identifiers
| CAS Number | 5827-80-5 |
|---|---|
| SMILES | CCC(CC)(CC)S |
| InChIKey | RZMDDQFQBIBLDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethylpentane-3-thiol (CAS 5827-80-5), with molecular formula C7H16S and molecular weight 132.10 g/mol. IUPAC: 3-ethylpentane-3-thiol.
Chemical Property Profile of 3-Ethylpentane-3-thiol
Property Insights of 3-Ethylpentane-3-thiol
The XLogP value of 3.1 indicates that 3-Ethylpentane-3-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, 3-Ethylpentane-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethylpentane-3-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 3-Ethylpentane-3-thiol?
The CAS number of 3-Ethylpentane-3-thiol is 5827-80-5.
What is the molecular formula of 3-Ethylpentane-3-thiol?
The molecular formula of 3-Ethylpentane-3-thiol is C7H16S.
What is the molecular weight of 3-Ethylpentane-3-thiol?
The molecular weight of 3-Ethylpentane-3-thiol is 132.10 g/mol.
Where can I buy 3-Ethylpentane-3-thiol?
You can request a quote for 3-Ethylpentane-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethylpentane-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethylpentane-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.