1-(Butylsulfanyl)-3-chlorobenzene
TL;DR: 1-(Butylsulfanyl)-3-chlorobenzene (CAS 84051-22-9) is a chemical compound with molecular formula C10H13ClS and molecular weight 200.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butylsulfanyl-3-chlorobenzene
Also Known As: butyl(3-chlorophenyl)sulfane, 1-(BUTYLSULFANYL)-3-CHLOROBENZENE, (3-Chlorophenyl)butyl sulfide, 1-butylsulfanyl-3-chlorobenzene, 1-butylsulfanyl-3-chloro-benzene
| Molecular Formula | C10H13ClS |
|---|---|
| Molecular Weight | 200.04 g/mol |
| LogP | 4.2322 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 200.04265 |
| Heavy Atoms | 12 |
| Complexity | 235.03511 |
Chemical Identifiers
| CAS Number | 84051-22-9 |
|---|---|
| SMILES | CCCCSC1=CC(=CC=C1)Cl |
Product Overview
1-(Butylsulfanyl)-3-chlorobenzene (CAS 84051-22-9), with molecular formula C10H13ClS and molecular weight 200.04 g/mol. IUPAC: 1-butylsulfanyl-3-chlorobenzene.
Chemical Property Profile of 1-(Butylsulfanyl)-3-chlorobenzene
Property Insights of 1-(Butylsulfanyl)-3-chlorobenzene
The XLogP value of 4.2322 indicates that 1-(Butylsulfanyl)-3-chlorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-(Butylsulfanyl)-3-chlorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Butylsulfanyl)-3-chlorobenzene 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 1-(Butylsulfanyl)-3-chlorobenzene?
The CAS number of 1-(Butylsulfanyl)-3-chlorobenzene is 84051-22-9.
What is the molecular formula of 1-(Butylsulfanyl)-3-chlorobenzene?
The molecular formula of 1-(Butylsulfanyl)-3-chlorobenzene is C10H13ClS.
What is the molecular weight of 1-(Butylsulfanyl)-3-chlorobenzene?
The molecular weight of 1-(Butylsulfanyl)-3-chlorobenzene is 200.04 g/mol.
Where can I buy 1-(Butylsulfanyl)-3-chlorobenzene?
You can request a quote for 1-(Butylsulfanyl)-3-chlorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Butylsulfanyl)-3-chlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Butylsulfanyl)-3-chlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.