Butyl tert-butyl sulfide
TL;DR: Butyl tert-butyl sulfide (CAS 926-47-6) 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.
1-tert-butylsulfanylbutane
Also Known As: Butyl tert-butyl sulfide, Butyl-t-butylsulfid, 1-(tert-butylsulfanyl)butane, t-butyl(butyl)sulfide, 1-tert-butylsulfanylbutane
| Molecular Formula | C8H18S |
|---|---|
| Molecular Weight | 146.11 g/mol |
| LogP | 3.3182 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 146.11292 |
| Heavy Atoms | 9 |
| Complexity | 61.45811 |
Chemical Identifiers
| CAS Number | 926-47-6 |
|---|---|
| SMILES | CCCCSC(C)(C)C |
Product Overview
Butyl tert-butyl sulfide (CAS 926-47-6), with molecular formula C8H18S and molecular weight 146.11 g/mol. IUPAC: 1-tert-butylsulfanylbutane.
Chemical Property Profile of Butyl tert-butyl sulfide
Property Insights of Butyl tert-butyl sulfide
The XLogP value of 3.3182 indicates that Butyl tert-butyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Butyl tert-butyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl tert-butyl sulfide 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 Butyl tert-butyl sulfide?
The CAS number of Butyl tert-butyl sulfide is 926-47-6.
What is the molecular formula of Butyl tert-butyl sulfide?
The molecular formula of Butyl tert-butyl sulfide is C8H18S.
What is the molecular weight of Butyl tert-butyl sulfide?
The molecular weight of Butyl tert-butyl sulfide is 146.11 g/mol.
Where can I buy Butyl tert-butyl sulfide?
You can request a quote for Butyl tert-butyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl tert-butyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Butyl tert-butyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.