Di-sec-butyl sulphide
TL;DR: Di-sec-butyl sulphide (CAS 626-26-6) 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.
2-butan-2-ylsulfanylbutane
Also Known As: sec-Butyl Sulfide, Di-sec-butyl sulfide, Di-sec-butylsulfide, Di-sec-butyl sulphide, sec-butylsulfide
| Molecular Formula | C8H18S |
|---|---|
| Molecular Weight | 146.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 146.11292 |
| Heavy Atoms | 9 |
| Complexity | 53.0 |
Chemical Identifiers
| CAS Number | 626-26-6 |
|---|---|
| SMILES | CCC(C)SC(C)CC |
| InChIKey | IEBAOPMEYUWQPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Di-sec-butyl sulphide (CAS 626-26-6), with molecular formula C8H18S and molecular weight 146.11 g/mol. IUPAC: 2-butan-2-ylsulfanylbutane.
Chemical Property Profile of Di-sec-butyl sulphide
Property Insights of Di-sec-butyl sulphide
The XLogP value of 3.5 indicates that Di-sec-butyl sulphide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Di-sec-butyl sulphide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Di-sec-butyl sulphide 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 Di-sec-butyl sulphide?
The CAS number of Di-sec-butyl sulphide is 626-26-6.
What is the molecular formula of Di-sec-butyl sulphide?
The molecular formula of Di-sec-butyl sulphide is C8H18S.
What is the molecular weight of Di-sec-butyl sulphide?
The molecular weight of Di-sec-butyl sulphide is 146.11 g/mol.
Where can I buy Di-sec-butyl sulphide?
You can request a quote for Di-sec-butyl sulphide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-sec-butyl sulphide?
Yes, KEHONG BIO provides custom synthesis services for Di-sec-butyl sulphide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.