1-Allylsulfanyl-3-chlorobenzene
TL;DR: 1-Allylsulfanyl-3-chlorobenzene (CAS 477983-30-5) is a chemical compound with molecular formula C9H9ClS and molecular weight 184.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-prop-2-enylsulfanylbenzene
Also Known As: 1-Allylsulfanyl-3-chlorobenzene, allyl(3-chlorophenyl)sulfane, starbld0045724, 1-chloro-3-prop-2-enylsulfanylbenzene, Allyl(3-chlorophenyl) sulfide
| Molecular Formula | C9H9ClS |
|---|---|
| Molecular Weight | 184.01 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.01135 |
| Heavy Atoms | 11 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 477983-30-5 |
|---|---|
| SMILES | C=CCSC1=CC(=CC=C1)Cl |
| InChIKey | SZJVIYYSQZRURZ-UHFFFAOYSA-N |
Product Overview
1-Allylsulfanyl-3-chlorobenzene (CAS 477983-30-5), with molecular formula C9H9ClS and molecular weight 184.01 g/mol. IUPAC: 1-chloro-3-prop-2-enylsulfanylbenzene.
Chemical Property Profile of 1-Allylsulfanyl-3-chlorobenzene
Property Insights of 1-Allylsulfanyl-3-chlorobenzene
The XLogP value of 4.1 indicates that 1-Allylsulfanyl-3-chlorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 1-Allylsulfanyl-3-chlorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Allylsulfanyl-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-Allylsulfanyl-3-chlorobenzene?
The CAS number of 1-Allylsulfanyl-3-chlorobenzene is 477983-30-5.
What is the molecular formula of 1-Allylsulfanyl-3-chlorobenzene?
The molecular formula of 1-Allylsulfanyl-3-chlorobenzene is C9H9ClS.
What is the molecular weight of 1-Allylsulfanyl-3-chlorobenzene?
The molecular weight of 1-Allylsulfanyl-3-chlorobenzene is 184.01 g/mol.
Where can I buy 1-Allylsulfanyl-3-chlorobenzene?
You can request a quote for 1-Allylsulfanyl-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-Allylsulfanyl-3-chlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Allylsulfanyl-3-chlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.