1-Chloro-4-(isopropylsulfanyl)benzene
TL;DR: 1-Chloro-4-(isopropylsulfanyl)benzene (CAS 7205-62-1) is a chemical compound with molecular formula C9H11ClS and molecular weight 186.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-propan-2-ylsulfanylbenzene
Also Known As: 1-Chloro-4-(isopropylsulfanyl)benzene, 1-chloro-4-(isopropylthio)benzene, Benzene, 1-chloro-4-[(1-methylethyl)thio]-, (4-Chlorophenyl)isopropyl sulfide, Isopropyl(4-chlorophenyl) sulfide
| Molecular Formula | C9H11ClS |
|---|---|
| Molecular Weight | 186.03 g/mol |
| LogP | 3.8405 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.027 |
| Heavy Atoms | 11 |
| Complexity | 215.50928 |
Chemical Identifiers
| CAS Number | 7205-62-1 |
|---|---|
| SMILES | CC(C)SC1=CC=C(C=C1)Cl |
Product Overview
1-Chloro-4-(isopropylsulfanyl)benzene (CAS 7205-62-1), with molecular formula C9H11ClS and molecular weight 186.03 g/mol. IUPAC: 1-chloro-4-propan-2-ylsulfanylbenzene.
Chemical Property Profile of 1-Chloro-4-(isopropylsulfanyl)benzene
Property Insights of 1-Chloro-4-(isopropylsulfanyl)benzene
The XLogP value of 3.8405 indicates that 1-Chloro-4-(isopropylsulfanyl)benzene 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-Chloro-4-(isopropylsulfanyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-(isopropylsulfanyl)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 1-Chloro-4-(isopropylsulfanyl)benzene?
The CAS number of 1-Chloro-4-(isopropylsulfanyl)benzene is 7205-62-1.
What is the molecular formula of 1-Chloro-4-(isopropylsulfanyl)benzene?
The molecular formula of 1-Chloro-4-(isopropylsulfanyl)benzene is C9H11ClS.
What is the molecular weight of 1-Chloro-4-(isopropylsulfanyl)benzene?
The molecular weight of 1-Chloro-4-(isopropylsulfanyl)benzene is 186.03 g/mol.
Where can I buy 1-Chloro-4-(isopropylsulfanyl)benzene?
You can request a quote for 1-Chloro-4-(isopropylsulfanyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-4-(isopropylsulfanyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-(isopropylsulfanyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.