S-tert-butyl 2-tert-butylsulfanylpropanethioate
TL;DR: S-tert-butyl 2-tert-butylsulfanylpropanethioate (CAS 56377-56-1) is a chemical compound with molecular formula C11H22OS2 and molecular weight 234.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-tert-butyl 2-tert-butylsulfanylpropanethioate
Also Known As: S-tert-butyl 2-tert-butylsulfanylpropanethioate, S-tert-Butyl 2-(tert-butylsulfanyl)propanethioate
| Molecular Formula | C11H22OS2 |
|---|---|
| Molecular Weight | 234.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 234.1112 |
| Heavy Atoms | 14 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 56377-56-1 |
|---|---|
| SMILES | CC(C(=O)SC(C)(C)C)SC(C)(C)C |
| InChIKey | AMSYNROAUIHITH-UHFFFAOYSA-N |
Product Overview
S-tert-butyl 2-tert-butylsulfanylpropanethioate (CAS 56377-56-1), with molecular formula C11H22OS2 and molecular weight 234.11 g/mol. IUPAC: S-tert-butyl 2-tert-butylsulfanylpropanethioate.
Chemical Property Profile of S-tert-butyl 2-tert-butylsulfanylpropanethioate
Property Insights of S-tert-butyl 2-tert-butylsulfanylpropanethioate
The XLogP value of 3.7 indicates that S-tert-butyl 2-tert-butylsulfanylpropanethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for S-tert-butyl 2-tert-butylsulfanylpropanethioate. Following Lipinski's Rule of Five, S-tert-butyl 2-tert-butylsulfanylpropanethioate 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 S-tert-butyl 2-tert-butylsulfanylpropanethioate?
The CAS number of S-tert-butyl 2-tert-butylsulfanylpropanethioate is 56377-56-1.
What is the molecular formula of S-tert-butyl 2-tert-butylsulfanylpropanethioate?
The molecular formula of S-tert-butyl 2-tert-butylsulfanylpropanethioate is C11H22OS2.
What is the molecular weight of S-tert-butyl 2-tert-butylsulfanylpropanethioate?
The molecular weight of S-tert-butyl 2-tert-butylsulfanylpropanethioate is 234.11 g/mol.
Where can I buy S-tert-butyl 2-tert-butylsulfanylpropanethioate?
You can request a quote for S-tert-butyl 2-tert-butylsulfanylpropanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-tert-butyl 2-tert-butylsulfanylpropanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-tert-butyl 2-tert-butylsulfanylpropanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.