S-(tert-Butyl) 4-methylbenzenesulfonothioate
TL;DR: S-(tert-Butyl) 4-methylbenzenesulfonothioate (CAS 2943-19-3) is a chemical compound with molecular formula C11H16O2S2 and molecular weight 244.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butylsulfanylsulfonyl-4-methylbenzene
Also Known As: 4-(t-Butylthio)tosylate, S-(tert-Butyl) 4-methylbenzenesulfonothioate, S-tert-Butyl p-toluenethiosulfonate, TERT-BUTYL TOSYL SULFIDE, 1-tert-butylsulfanylsulfonyl-4-methylbenzene
| Molecular Formula | C11H16O2S2 |
|---|---|
| Molecular Weight | 244.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.05917 |
| Heavy Atoms | 15 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 2943-19-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)SC(C)(C)C |
| InChIKey | DWUPUYSPVAQOBQ-UHFFFAOYSA-N |
Product Overview
S-(tert-Butyl) 4-methylbenzenesulfonothioate (CAS 2943-19-3), with molecular formula C11H16O2S2 and molecular weight 244.06 g/mol. IUPAC: 1-tert-butylsulfanylsulfonyl-4-methylbenzene.
Chemical Property Profile of S-(tert-Butyl) 4-methylbenzenesulfonothioate
Property Insights of S-(tert-Butyl) 4-methylbenzenesulfonothioate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(tert-Butyl) 4-methylbenzenesulfonothioate. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(tert-Butyl) 4-methylbenzenesulfonothioate. Following Lipinski's Rule of Five, S-(tert-Butyl) 4-methylbenzenesulfonothioate 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) 4-methylbenzenesulfonothioate?
The CAS number of S-(tert-Butyl) 4-methylbenzenesulfonothioate is 2943-19-3.
What is the molecular formula of S-(tert-Butyl) 4-methylbenzenesulfonothioate?
The molecular formula of S-(tert-Butyl) 4-methylbenzenesulfonothioate is C11H16O2S2.
What is the molecular weight of S-(tert-Butyl) 4-methylbenzenesulfonothioate?
The molecular weight of S-(tert-Butyl) 4-methylbenzenesulfonothioate is 244.06 g/mol.
Where can I buy S-(tert-Butyl) 4-methylbenzenesulfonothioate?
You can request a quote for S-(tert-Butyl) 4-methylbenzenesulfonothioate 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) 4-methylbenzenesulfonothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(tert-Butyl) 4-methylbenzenesulfonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.