Benzene, 2-chloro-4-ethynyl-1-(methylthio)-
TL;DR: Benzene, 2-chloro-4-ethynyl-1-(methylthio)- (CAS 120136-30-3) is a chemical compound with molecular formula C9H7ClS and molecular weight 182.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-ethynyl-1-methylsulfanylbenzene
Also Known As: 3-Cl-4-CH3S-C6H3-CCH, 2-chloro-4-ethynyl-1-methylsulfanylbenzene, Benzene, 2-chloro-4-ethynyl-1-(methylthio)-, 2-CHLORO-4-ETHYNYL-1-(METHYLSULFANYL)BENZENE
| Molecular Formula | C9H7ClS |
|---|---|
| Molecular Weight | 182.00 g/mol |
| LogP | 3.0432 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.9957 |
| Heavy Atoms | 11 |
| Complexity | 298.9213 |
Chemical Identifiers
| CAS Number | 120136-30-3 |
|---|---|
| SMILES | CSC1=C(C=C(C=C1)C#C)Cl |
Product Overview
Benzene, 2-chloro-4-ethynyl-1-(methylthio)- (CAS 120136-30-3), with molecular formula C9H7ClS and molecular weight 182.00 g/mol. IUPAC: 2-chloro-4-ethynyl-1-methylsulfanylbenzene.
Chemical Property Profile of Benzene, 2-chloro-4-ethynyl-1-(methylthio)-
Property Insights of Benzene, 2-chloro-4-ethynyl-1-(methylthio)-
The XLogP value of 3.0432 indicates that Benzene, 2-chloro-4-ethynyl-1-(methylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 2-chloro-4-ethynyl-1-(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 2-chloro-4-ethynyl-1-(methylthio)- 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, 2-chloro-4-ethynyl-1-(methylthio)-?
The CAS number of Benzene, 2-chloro-4-ethynyl-1-(methylthio)- is 120136-30-3.
What is the molecular formula of Benzene, 2-chloro-4-ethynyl-1-(methylthio)-?
The molecular formula of Benzene, 2-chloro-4-ethynyl-1-(methylthio)- is C9H7ClS.
What is the molecular weight of Benzene, 2-chloro-4-ethynyl-1-(methylthio)-?
The molecular weight of Benzene, 2-chloro-4-ethynyl-1-(methylthio)- is 182.00 g/mol.
Where can I buy Benzene, 2-chloro-4-ethynyl-1-(methylthio)-?
You can request a quote for Benzene, 2-chloro-4-ethynyl-1-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 2-chloro-4-ethynyl-1-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 2-chloro-4-ethynyl-1-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.