Benzene, 1-chloro-2-(2-propenylthio)-
TL;DR: Benzene, 1-chloro-2-(2-propenylthio)- (CAS 457077-10-0) 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-2-prop-2-enylsulfanylbenzene
Also Known As: 1-chloro-2-prop-2-enylsulfanylbenzene, Benzene, 1-chloro-2-(2-propenylthio)-, o-chlorophenylallyl sulfide, Allyl(2-chlorophenyl)sulfane, 2-Propenyl 2-chlorophenyl sulfide
| Molecular Formula | C9H9ClS |
|---|---|
| Molecular Weight | 184.01 g/mol |
| LogP | 3.7 |
| 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 | 457077-10-0 |
|---|---|
| SMILES | C=CCSC1=CC=CC=C1Cl |
| InChIKey | CCSHMLTWCWPDFH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-chloro-2-(2-propenylthio)- (CAS 457077-10-0), with molecular formula C9H9ClS and molecular weight 184.01 g/mol. IUPAC: 1-chloro-2-prop-2-enylsulfanylbenzene.
Chemical Property Profile of Benzene, 1-chloro-2-(2-propenylthio)-
Property Insights of Benzene, 1-chloro-2-(2-propenylthio)-
The XLogP value of 3.7 indicates that Benzene, 1-chloro-2-(2-propenylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Benzene, 1-chloro-2-(2-propenylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-chloro-2-(2-propenylthio)- 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 Benzene, 1-chloro-2-(2-propenylthio)-?
The CAS number of Benzene, 1-chloro-2-(2-propenylthio)- is 457077-10-0.
What is the molecular formula of Benzene, 1-chloro-2-(2-propenylthio)-?
The molecular formula of Benzene, 1-chloro-2-(2-propenylthio)- is C9H9ClS.
What is the molecular weight of Benzene, 1-chloro-2-(2-propenylthio)-?
The molecular weight of Benzene, 1-chloro-2-(2-propenylthio)- is 184.01 g/mol.
Where can I buy Benzene, 1-chloro-2-(2-propenylthio)-?
You can request a quote for Benzene, 1-chloro-2-(2-propenylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-chloro-2-(2-propenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-chloro-2-(2-propenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.