S-tert-butylsulfanyl ethanethioate
TL;DR: S-tert-butylsulfanyl ethanethioate (CAS 31172-01-7) is a chemical compound with molecular formula C6H12OS2 and molecular weight 164.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-tert-butylsulfanyl ethanethioate
Also Known As: S-tert-butylsulfanyl ethanethioate, acetyl t-butyl disulfide, Acetyl tert-butyl persulfide, tert-Butyl ethane(dithioperoxo)oate, 1-(tert-butyldisulfanyl)ethan-1-one
| Molecular Formula | C6H12OS2 |
|---|---|
| Molecular Weight | 164.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.03296 |
| Heavy Atoms | 9 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 31172-01-7 |
|---|---|
| SMILES | CC(=O)SSC(C)(C)C |
| InChIKey | HERYIIQBMXYJFE-UHFFFAOYSA-N |
Product Overview
S-tert-butylsulfanyl ethanethioate (CAS 31172-01-7), with molecular formula C6H12OS2 and molecular weight 164.03 g/mol. IUPAC: S-tert-butylsulfanyl ethanethioate.
Chemical Property Profile of S-tert-butylsulfanyl ethanethioate
Property Insights of S-tert-butylsulfanyl ethanethioate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-tert-butylsulfanyl ethanethioate. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for S-tert-butylsulfanyl ethanethioate. Following Lipinski's Rule of Five, S-tert-butylsulfanyl ethanethioate 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-butylsulfanyl ethanethioate?
The CAS number of S-tert-butylsulfanyl ethanethioate is 31172-01-7.
What is the molecular formula of S-tert-butylsulfanyl ethanethioate?
The molecular formula of S-tert-butylsulfanyl ethanethioate is C6H12OS2.
What is the molecular weight of S-tert-butylsulfanyl ethanethioate?
The molecular weight of S-tert-butylsulfanyl ethanethioate is 164.03 g/mol.
Where can I buy S-tert-butylsulfanyl ethanethioate?
You can request a quote for S-tert-butylsulfanyl ethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-tert-butylsulfanyl ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-tert-butylsulfanyl ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.