Isopropyl n-butyl disulphide
TL;DR: Isopropyl n-butyl disulphide (CAS 72437-53-7) is a chemical compound with molecular formula C7H16S2 and molecular weight 164.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(propan-2-yldisulfanyl)butane
Also Known As: Isopropyl n-butyl disulphide, Butyl isopropyl disulfide, 1-(propan-2-yldisulfanyl)butane, Butylisopropyl persulfide, 2-methyl-3,4-dithiaoctane
| Molecular Formula | C7H16S2 |
|---|---|
| Molecular Weight | 164.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 164.06934 |
| Heavy Atoms | 9 |
| Complexity | 52.0 |
Chemical Identifiers
| CAS Number | 72437-53-7 |
|---|---|
| SMILES | CCCCSSC(C)C |
| InChIKey | HODYAASMHKKQBS-UHFFFAOYSA-N |
Product Overview
Isopropyl n-butyl disulphide (CAS 72437-53-7), with molecular formula C7H16S2 and molecular weight 164.07 g/mol. IUPAC: 1-(propan-2-yldisulfanyl)butane.
Chemical Property Profile of Isopropyl n-butyl disulphide
Property Insights of Isopropyl n-butyl disulphide
The XLogP value of 3.0 indicates that Isopropyl n-butyl disulphide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, Isopropyl n-butyl disulphide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl n-butyl disulphide 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 Isopropyl n-butyl disulphide?
The CAS number of Isopropyl n-butyl disulphide is 72437-53-7.
What is the molecular formula of Isopropyl n-butyl disulphide?
The molecular formula of Isopropyl n-butyl disulphide is C7H16S2.
What is the molecular weight of Isopropyl n-butyl disulphide?
The molecular weight of Isopropyl n-butyl disulphide is 164.07 g/mol.
Where can I buy Isopropyl n-butyl disulphide?
You can request a quote for Isopropyl n-butyl disulphide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl n-butyl disulphide?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl n-butyl disulphide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.