丁硫醚
TL;DR: 丁硫醚 (CAS 544-40-1) is a chemical compound with molecular formula C8H18S and molecular weight 146.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁硫醚
1-butylsulfanylbutane
Also Known As: Dibutyl sulfide, Butyl sulfide, n-Butyl sulfide, Butylthiobutane, Butyl monosulfide
| Molecular Formula | C8H18S |
|---|---|
| Molecular Weight | 146.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 146.11292 |
| Heavy Atoms | 9 |
| Complexity | 37.0 |
| Melting Point | -80 °C |
| Boiling Point | 182.00 to 189.00 °C. @ 760.00 mm Hg |
| Density | 0.832-0.840 |
| Solubility | insoluble in water; soluble in ethyl alcohol and ethyl ether |
| Vapor Pressure | 1.2 [mmHg] |
| Refractive Index | 1.448-1.458 |
Chemical Identifiers
| CAS Number | 544-40-1 |
|---|---|
| SMILES | CCCCSCCCC |
| InChIKey | HTIRHQRTDBPHNZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁硫醚 (CAS 544-40-1), with molecular formula C8H18S and molecular weight 146.11 g/mol. IUPAC: 1-butylsulfanylbutane.
Chemical Property Profile of 丁硫醚
Property Insights of 丁硫醚
The XLogP value of 3.4 indicates that 丁硫醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 丁硫醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁硫醚 has 0 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 丁硫醚?
The CAS number of 丁硫醚 is 544-40-1.
What is the molecular formula of 丁硫醚?
The molecular formula of 丁硫醚 is C8H18S.
What is the molecular weight of 丁硫醚?
The molecular weight of 丁硫醚 is 146.11 g/mol.
Where can I buy 丁硫醚?
You can request a quote for 丁硫醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁硫醚?
Yes, KEHONG BIO provides custom synthesis services for 丁硫醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.