2,3-Dichloroprop-2-enylsulfanylbenzene
TL;DR: 2,3-Dichloroprop-2-enylsulfanylbenzene (CAS 78399-83-4) is a chemical compound with molecular formula C9H8Cl2S and molecular weight 217.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dichloroprop-2-enylsulfanylbenzene
Also Known As: 2,3-dichloroprop-2-enylsulfanylbenzene, [(E)-2,3-dichloroprop-2-enyl]sulfanylbenzene, [(2,3-dichloroprop-2-en-1-yl)sulfanyl]benzene
| Molecular Formula | C9H8Cl2S |
|---|---|
| Molecular Weight | 217.97 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.97238 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 78399-83-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCC(=CCl)Cl |
| InChIKey | RVUOHKSINRNDNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dichloroprop-2-enylsulfanylbenzene (CAS 78399-83-4), with molecular formula C9H8Cl2S and molecular weight 217.97 g/mol. IUPAC: 2,3-dichloroprop-2-enylsulfanylbenzene.
Chemical Property Profile of 2,3-Dichloroprop-2-enylsulfanylbenzene
Property Insights of 2,3-Dichloroprop-2-enylsulfanylbenzene
The XLogP value of 3.8 indicates that 2,3-Dichloroprop-2-enylsulfanylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 2,3-Dichloroprop-2-enylsulfanylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dichloroprop-2-enylsulfanylbenzene 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 2,3-Dichloroprop-2-enylsulfanylbenzene?
The CAS number of 2,3-Dichloroprop-2-enylsulfanylbenzene is 78399-83-4.
What is the molecular formula of 2,3-Dichloroprop-2-enylsulfanylbenzene?
The molecular formula of 2,3-Dichloroprop-2-enylsulfanylbenzene is C9H8Cl2S.
What is the molecular weight of 2,3-Dichloroprop-2-enylsulfanylbenzene?
The molecular weight of 2,3-Dichloroprop-2-enylsulfanylbenzene is 217.97 g/mol.
Where can I buy 2,3-Dichloroprop-2-enylsulfanylbenzene?
You can request a quote for 2,3-Dichloroprop-2-enylsulfanylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dichloroprop-2-enylsulfanylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dichloroprop-2-enylsulfanylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.