1-Methylcyclopentanethiol
TL;DR: 1-Methylcyclopentanethiol (CAS 1638-95-5) is a chemical compound with molecular formula C6H12S and molecular weight 116.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylcyclopentane-1-thiol
Also Known As: 1-Methylcyclopentanethiol, 1-methylcyclopentane-1-thiol, Cyclopentanethiol, 1-methyl-, RefChem:232029
| Molecular Formula | C6H12S |
|---|---|
| Molecular Weight | 116.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 116.06597 |
| Heavy Atoms | 7 |
| Complexity | 62.0 |
Chemical Identifiers
| CAS Number | 1638-95-5 |
|---|---|
| SMILES | CC1(CCCC1)S |
| InChIKey | XJWBHFDHEOPYNK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methylcyclopentanethiol (CAS 1638-95-5), with molecular formula C6H12S and molecular weight 116.07 g/mol. IUPAC: 1-methylcyclopentane-1-thiol.
Chemical Property Profile of 1-Methylcyclopentanethiol
Property Insights of 1-Methylcyclopentanethiol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylcyclopentanethiol. With a topological polar surface area (TPSA) of 1.0 Ų, 1-Methylcyclopentanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylcyclopentanethiol 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 1-Methylcyclopentanethiol?
The CAS number of 1-Methylcyclopentanethiol is 1638-95-5.
What is the molecular formula of 1-Methylcyclopentanethiol?
The molecular formula of 1-Methylcyclopentanethiol is C6H12S.
What is the molecular weight of 1-Methylcyclopentanethiol?
The molecular weight of 1-Methylcyclopentanethiol is 116.07 g/mol.
Where can I buy 1-Methylcyclopentanethiol?
You can request a quote for 1-Methylcyclopentanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylcyclopentanethiol?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylcyclopentanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.