Benzyltert-butylsulfoxide
TL;DR: Benzyltert-butylsulfoxide (CAS 2844-08-8) is a chemical compound with molecular formula C11H16OS and molecular weight 196.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butylsulfinylmethylbenzene
Also Known As: benzyl t-butyl sulf-oxide, BENZYLTERT-BUTYLSULFOXIDE, Benzyl tert-butyl sulfoxide, tert-butylsulfinylmethylbenzene, Alpha-(tert-butylsulfinyl)toluene
| Molecular Formula | C11H16OS |
|---|---|
| Molecular Weight | 196.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.0922 |
| Heavy Atoms | 13 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 2844-08-8 |
|---|---|
| SMILES | CC(C)(C)S(=O)CC1=CC=CC=C1 |
| InChIKey | HOHHGPSMIBONTK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyltert-butylsulfoxide (CAS 2844-08-8), with molecular formula C11H16OS and molecular weight 196.09 g/mol. IUPAC: tert-butylsulfinylmethylbenzene.
Chemical Property Profile of Benzyltert-butylsulfoxide
Property Insights of Benzyltert-butylsulfoxide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyltert-butylsulfoxide. With a topological polar surface area (TPSA) of 36.3 Ų, Benzyltert-butylsulfoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyltert-butylsulfoxide has 0 hydrogen bond donor(s) and 2 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 Benzyltert-butylsulfoxide?
The CAS number of Benzyltert-butylsulfoxide is 2844-08-8.
What is the molecular formula of Benzyltert-butylsulfoxide?
The molecular formula of Benzyltert-butylsulfoxide is C11H16OS.
What is the molecular weight of Benzyltert-butylsulfoxide?
The molecular weight of Benzyltert-butylsulfoxide is 196.09 g/mol.
Where can I buy Benzyltert-butylsulfoxide?
You can request a quote for Benzyltert-butylsulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyltert-butylsulfoxide?
Yes, KEHONG BIO provides custom synthesis services for Benzyltert-butylsulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.