Di-tert-butyl pentasulphide
TL;DR: Di-tert-butyl pentasulphide (CAS 7330-32-7) is a chemical compound with molecular formula C8H18S5 and molecular weight 274.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(tert-butylpentasulfanyl)-2-methylpropane
Also Known As: di-tert-butylpentasulfane, Di-tert-butyl pentasulphide, di-tert-butyl pentasulfide, Di-tert-butyl perpentasulfide, Pentasulfide,bis(1,1-dimethylethyl)-
| Molecular Formula | C8H18S5 |
|---|---|
| Molecular Weight | 274.00 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 274.00122 |
| Heavy Atoms | 13 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 7330-32-7 |
|---|---|
| SMILES | CC(C)(C)SSSSSC(C)(C)C |
| InChIKey | CZVOXOJHCICATK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Di-tert-butyl pentasulphide (CAS 7330-32-7), with molecular formula C8H18S5 and molecular weight 274.00 g/mol. IUPAC: 2-(tert-butylpentasulfanyl)-2-methylpropane.
Chemical Property Profile of Di-tert-butyl pentasulphide
Property Insights of Di-tert-butyl pentasulphide
The XLogP value of 4.2 indicates that Di-tert-butyl pentasulphide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Di-tert-butyl pentasulphide. Following Lipinski's Rule of Five, Di-tert-butyl pentasulphide has 0 hydrogen bond donor(s) and 5 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-tert-butyl pentasulphide?
The CAS number of Di-tert-butyl pentasulphide is 7330-32-7.
What is the molecular formula of Di-tert-butyl pentasulphide?
The molecular formula of Di-tert-butyl pentasulphide is C8H18S5.
What is the molecular weight of Di-tert-butyl pentasulphide?
The molecular weight of Di-tert-butyl pentasulphide is 274.00 g/mol.
Where can I buy Di-tert-butyl pentasulphide?
You can request a quote for Di-tert-butyl pentasulphide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-tert-butyl pentasulphide?
Yes, KEHONG BIO provides custom synthesis services for Di-tert-butyl pentasulphide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.