正丁硫醇
TL;DR: 正丁硫醇 (CAS 109-79-5) is a chemical compound with molecular formula C4H10S and molecular weight 90.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
正丁硫醇
butane-1-thiol
Also Known As: 1-Butanethiol, Butanethiol, butane-1-thiol, n-Butyl mercaptan, BUTYL MERCAPTAN
| Molecular Formula | C4H10S |
|---|---|
| Molecular Weight | 90.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 90.05032 |
| Heavy Atoms | 5 |
| Complexity | 13.0 |
| Melting Point | -115.7 °C |
| Boiling Point | 109.6 °C at 760 mmHg |
| Density | 0.841 at 20.0 °C - Less dense than water; will float |
| Solubility | 0.06 % (NIOSH, 2024) |
| Flash Point | 12.8 °C |
| Vapor Pressure | 35 mmHg |
| Refractive Index | MAX ABSORPTION (ISOOCTANE): 225-230 NM (LOG E= 2.20); 1.4440 @ 20 °C |
Chemical Identifiers
| CAS Number | 109-79-5 |
|---|---|
| SMILES | CCCCS |
| InChIKey | WQAQPCDUOCURKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
正丁硫醇 (CAS 109-79-5), with molecular formula C4H10S and molecular weight 90.05 g/mol. IUPAC: butane-1-thiol.
Chemical Property Profile of 正丁硫醇
Property Insights of 正丁硫醇
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 正丁硫醇. With a topological polar surface area (TPSA) of 1.0 Ų, 正丁硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 正丁硫醇 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 正丁硫醇?
The CAS number of 正丁硫醇 is 109-79-5.
What is the molecular formula of 正丁硫醇?
The molecular formula of 正丁硫醇 is C4H10S.
What is the molecular weight of 正丁硫醇?
The molecular weight of 正丁硫醇 is 90.05 g/mol.
Where can I buy 正丁硫醇?
You can request a quote for 正丁硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 正丁硫醇?
Yes, KEHONG BIO provides custom synthesis services for 正丁硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.