苄基2-氯乙基硫醚
TL;DR: 苄基2-氯乙基硫醚 (CAS 4332-51-8) 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.
苄基2-氯乙基硫醚
2-chloroethylsulfanylmethylbenzene
Also Known As: Benzyl 2-chloroethyl sulfide, 2-Chloroethyl benzyl sulfide, 2-Benzylthioethyl chloride, Benzyl 2-chloroethyl sulphide, Sulfide, benzyl 2-chloroethyl
| Molecular Formula | C9H11ClS |
|---|---|
| Molecular Weight | 186.03 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 186.027 |
| Heavy Atoms | 11 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 4332-51-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCCCl |
| InChIKey | UQSMMTFBNJUPGW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苄基2-氯乙基硫醚 (CAS 4332-51-8), with molecular formula C9H11ClS and molecular weight 186.03 g/mol. IUPAC: 2-chloroethylsulfanylmethylbenzene.
Chemical Property Profile of 苄基2-氯乙基硫醚
Property Insights of 苄基2-氯乙基硫醚
The XLogP value of 3.0 indicates that 苄基2-氯乙基硫醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 苄基2-氯乙基硫醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苄基2-氯乙基硫醚 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 苄基2-氯乙基硫醚?
The CAS number of 苄基2-氯乙基硫醚 is 4332-51-8.
What is the molecular formula of 苄基2-氯乙基硫醚?
The molecular formula of 苄基2-氯乙基硫醚 is C9H11ClS.
What is the molecular weight of 苄基2-氯乙基硫醚?
The molecular weight of 苄基2-氯乙基硫醚 is 186.03 g/mol.
Where can I buy 苄基2-氯乙基硫醚?
You can request a quote for 苄基2-氯乙基硫醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苄基2-氯乙基硫醚?
Yes, KEHONG BIO provides custom synthesis services for 苄基2-氯乙基硫醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.