丁二硫醚
TL;DR: 丁二硫醚 (CAS 629-45-8) is a chemical compound with molecular formula C8H18S2 and molecular weight 178.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁二硫醚
1-(butyldisulfanyl)butane
Also Known As: Butyl disulfide, DIBUTYL DISULFIDE, Disulfide, dibutyl, n-Butyl disulfide, 1-(Butyldisulfanyl)butane
| Molecular Formula | C8H18S2 |
|---|---|
| Molecular Weight | 178.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 178.08499 |
| Heavy Atoms | 10 |
| Complexity | 47.0 |
| Boiling Point | 229.00 to 233.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 629-45-8 |
|---|---|
| SMILES | CCCCSSCCCC |
| InChIKey | CUDSBWGCGSUXDB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁二硫醚 (CAS 629-45-8), with molecular formula C8H18S2 and molecular weight 178.08 g/mol. IUPAC: 1-(butyldisulfanyl)butane.
Chemical Property Profile of 丁二硫醚
Property Insights of 丁二硫醚
The XLogP value of 3.4 indicates that 丁二硫醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 丁二硫醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁二硫醚 has 0 hydrogen bond donor(s) and 2 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 丁二硫醚?
The CAS number of 丁二硫醚 is 629-45-8.
What is the molecular formula of 丁二硫醚?
The molecular formula of 丁二硫醚 is C8H18S2.
What is the molecular weight of 丁二硫醚?
The molecular weight of 丁二硫醚 is 178.08 g/mol.
Where can I buy 丁二硫醚?
You can request a quote for 丁二硫醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁二硫醚?
Yes, KEHONG BIO provides custom synthesis services for 丁二硫醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.