环己硫醇
TL;DR: 环己硫醇 (CAS 1569-69-3) 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.
环己硫醇
cyclohexanethiol
Also Known As: CYCLOHEXANETHIOL, Cyclohexyl mercaptan, Cyclohexyl thiol, Cyclohexylthiol, Cyclohexylmercaptan
| Molecular Formula | C6H12S |
|---|---|
| Molecular Weight | 116.07 g/mol |
| LogP | 2.7 |
| 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 | 46.0 |
| Melting Point | -118.3 °C |
| Boiling Point | 157.8 °C at 760 mmHg |
| Density | 0.98 - Less dense than water; will float |
| Solubility | Insoluble (NIOSH, 2024) |
| Flash Point | 43.3 °C |
| Vapor Pressure | 10 mmHg |
| Refractive Index | MAX ABSORPTION (CYCLOHEXANE): 230 NM (LOG E= 2.14); 1.4921 AT 20 °C; SADTLER REFERENCE NUMBER: 19137 (IR, PRISM); 5009 (NMR) |
Chemical Identifiers
| CAS Number | 1569-69-3 |
|---|---|
| SMILES | C1CCC(CC1)S |
| InChIKey | CMKBCTPCXZNQKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
环己硫醇 (CAS 1569-69-3), with molecular formula C6H12S and molecular weight 116.07 g/mol. IUPAC: cyclohexanethiol.
Chemical Property Profile of 环己硫醇
Property Insights of 环己硫醇
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 环己硫醇. With a topological polar surface area (TPSA) of 1.0 Ų, 环己硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 环己硫醇 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 环己硫醇?
The CAS number of 环己硫醇 is 1569-69-3.
What is the molecular formula of 环己硫醇?
The molecular formula of 环己硫醇 is C6H12S.
What is the molecular weight of 环己硫醇?
The molecular weight of 环己硫醇 is 116.07 g/mol.
Where can I buy 环己硫醇?
You can request a quote for 环己硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环己硫醇?
Yes, KEHONG BIO provides custom synthesis services for 环己硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.