二苄基硫醚
TL;DR: 二苄基硫醚 (CAS 538-74-9) is a chemical compound with molecular formula C14H14S and molecular weight 214.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二苄基硫醚
benzylsulfanylmethylbenzene
Also Known As: Dibenzyl sulfide, BENZYL SULFIDE, dibenzylsulfane, Dibenzyl sulphide, Benzyl thioether
| Molecular Formula | C14H14S |
|---|---|
| Molecular Weight | 214.08 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.08162 |
| Heavy Atoms | 15 |
| Complexity | 137.0 |
| Melting Point | 120 to 50.0 °C |
| Boiling Point | Decomposes |
| Density | 1.0712 at 50.0 °C |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | greater than 110.0 °C |
| Vapor Pressure | 0.000289 [mmHg] |
Chemical Identifiers
| CAS Number | 538-74-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCC2=CC=CC=C2 |
| InChIKey | LUFPJJNWMYZRQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二苄基硫醚 (CAS 538-74-9), with molecular formula C14H14S and molecular weight 214.08 g/mol. IUPAC: benzylsulfanylmethylbenzene.
Chemical Property Profile of 二苄基硫醚
Property Insights of 二苄基硫醚
The XLogP value of 3.9 indicates that 二苄基硫醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 二苄基硫醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二苄基硫醚 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 二苄基硫醚?
The CAS number of 二苄基硫醚 is 538-74-9.
What is the molecular formula of 二苄基硫醚?
The molecular formula of 二苄基硫醚 is C14H14S.
What is the molecular weight of 二苄基硫醚?
The molecular weight of 二苄基硫醚 is 214.08 g/mol.
Where can I buy 二苄基硫醚?
You can request a quote for 二苄基硫醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二苄基硫醚?
Yes, KEHONG BIO provides custom synthesis services for 二苄基硫醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.