Di-tert-butyl trisulphide
TL;DR: Di-tert-butyl trisulphide (CAS 4253-90-1) is a chemical compound with molecular formula C8H18S3 and molecular weight 210.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(tert-butyltrisulfanyl)-2-methylpropane
Also Known As: Di-t-butyl trisulfide, Di-tert-butyl trisulphide, tert-Butyl trisulfide, Trisulfide, bis(1,1-dimethylethyl), Di-tert.-butyltrisulfid
| Molecular Formula | C8H18S3 |
|---|---|
| Molecular Weight | 210.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.05707 |
| Heavy Atoms | 11 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 4253-90-1 |
|---|---|
| SMILES | CC(C)(C)SSSC(C)(C)C |
| InChIKey | NYLJHRUQFXQNPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Di-tert-butyl trisulphide (CAS 4253-90-1), with molecular formula C8H18S3 and molecular weight 210.06 g/mol. IUPAC: 2-(tert-butyltrisulfanyl)-2-methylpropane.
Chemical Property Profile of Di-tert-butyl trisulphide
Property Insights of Di-tert-butyl trisulphide
The XLogP value of 3.3 indicates that Di-tert-butyl trisulphide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Di-tert-butyl trisulphide. Following Lipinski's Rule of Five, Di-tert-butyl trisulphide has 0 hydrogen bond donor(s) and 3 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 trisulphide?
The CAS number of Di-tert-butyl trisulphide is 4253-90-1.
What is the molecular formula of Di-tert-butyl trisulphide?
The molecular formula of Di-tert-butyl trisulphide is C8H18S3.
What is the molecular weight of Di-tert-butyl trisulphide?
The molecular weight of Di-tert-butyl trisulphide is 210.06 g/mol.
Where can I buy Di-tert-butyl trisulphide?
You can request a quote for Di-tert-butyl trisulphide 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 trisulphide?
Yes, KEHONG BIO provides custom synthesis services for Di-tert-butyl trisulphide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.