(Butane-1-sulfinylmethyl)-benzene
TL;DR: (Butane-1-sulfinylmethyl)-benzene (CAS 2168-98-1) 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.
butylsulfinylmethylbenzene
Also Known As: butylsulfinylmethylbenzene, Benzylbutyl sulfoxide, Butylbenzyl sulfoxide, (Butane-1-sulfinylmethyl)-benzene, Benzene, [(butylsulfinyl)methyl]-
| Molecular Formula | C11H16OS |
|---|---|
| Molecular Weight | 196.09 g/mol |
| LogP | 2.7354 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 196.0922 |
| Heavy Atoms | 13 |
| Complexity | 256.0526 |
Chemical Identifiers
| CAS Number | 2168-98-1 |
|---|---|
| SMILES | CCCCS(=O)CC1=CC=CC=C1 |
Product Overview
(Butane-1-sulfinylmethyl)-benzene (CAS 2168-98-1), with molecular formula C11H16OS and molecular weight 196.09 g/mol. IUPAC: butylsulfinylmethylbenzene.
Chemical Property Profile of (Butane-1-sulfinylmethyl)-benzene
Property Insights of (Butane-1-sulfinylmethyl)-benzene
The XLogP value of 2.7354 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Butane-1-sulfinylmethyl)-benzene. With a topological polar surface area (TPSA) of 17.07 Ų, (Butane-1-sulfinylmethyl)-benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Butane-1-sulfinylmethyl)-benzene 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 (Butane-1-sulfinylmethyl)-benzene?
The CAS number of (Butane-1-sulfinylmethyl)-benzene is 2168-98-1.
What is the molecular formula of (Butane-1-sulfinylmethyl)-benzene?
The molecular formula of (Butane-1-sulfinylmethyl)-benzene is C11H16OS.
What is the molecular weight of (Butane-1-sulfinylmethyl)-benzene?
The molecular weight of (Butane-1-sulfinylmethyl)-benzene is 196.09 g/mol.
Where can I buy (Butane-1-sulfinylmethyl)-benzene?
You can request a quote for (Butane-1-sulfinylmethyl)-benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Butane-1-sulfinylmethyl)-benzene?
Yes, KEHONG BIO provides custom synthesis services for (Butane-1-sulfinylmethyl)-benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.