正戊硫醇
TL;DR: 正戊硫醇 (CAS 110-66-7) is a chemical compound with molecular formula C5H12S and molecular weight 104.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
正戊硫醇
pentane-1-thiol
Also Known As: 1-Pentanethiol, Pentane-1-thiol, n-Amyl mercaptan, Pentyl mercaptan, Pentanethiol
| Molecular Formula | C5H12S |
|---|---|
| Molecular Weight | 104.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 104.06597 |
| Heavy Atoms | 6 |
| Complexity | 19.0 |
| Melting Point | -76.1 °C |
| Boiling Point | 120.0 °C at 760 mmHg |
| Density | 0.8392 at 25.0 °C - Less dense than water; will float |
| Solubility | Insoluble (NIOSH, 2024) |
| Flash Point | 18.3 °C |
| Vapor Pressure | 14 mmHg at 25.0 °C |
| Refractive Index | 1.4499 at 20 °C |
Chemical Identifiers
| CAS Number | 110-66-7 |
|---|---|
| SMILES | CCCCCS |
| InChIKey | ZRKMQKLGEQPLNS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
正戊硫醇 (CAS 110-66-7), with molecular formula C5H12S and molecular weight 104.07 g/mol. IUPAC: pentane-1-thiol.
Chemical Property Profile of 正戊硫醇
Property Insights of 正戊硫醇
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 正戊硫醇. With a topological polar surface area (TPSA) of 1.0 Ų, 正戊硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 正戊硫醇 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 正戊硫醇?
The CAS number of 正戊硫醇 is 110-66-7.
What is the molecular formula of 正戊硫醇?
The molecular formula of 正戊硫醇 is C5H12S.
What is the molecular weight of 正戊硫醇?
The molecular weight of 正戊硫醇 is 104.07 g/mol.
Where can I buy 正戊硫醇?
You can request a quote for 正戊硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 正戊硫醇?
Yes, KEHONG BIO provides custom synthesis services for 正戊硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.