Dibenzyl sulfide
TL;DR: Dibenzyl sulfide (CAS 538-74-9) is a chemical compound with molecular formula C14H14S and molecular weight 214.08162 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzylsulfanylmethylbenzene
Also Known As: Dibenzyl sulfide, BENZYL SULFIDE, dibenzylsulfane, Dibenzyl sulphide, Benzyl thioether
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H14S |
| Molecular Weight | 214.08162 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.08162 Da |
| Heavy Atoms | 15 |
| Complexity | 137.0 |
| Melting Point | 120 to 122 °F (NTP, 1992) |
| Boiling Point | Decomposes (NTP, 1992) |
| Density | 1.0712 at 122 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | greater than 230 °F (NTP, 1992) |
| Vapor Pressure | 0.000289 [mmHg] |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| SMILES | C1=CC=C(C=C1)CSCC2=CC=CC=C2 |
| InChIKey | LUFPJJNWMYZRQE-UHFFFAOYSA-N |
Product Description
Applications: Dibenzyl sulfide is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Dibenzyl sulfide (CAS 538-74-9) is a heterocyclic building block with the molecular formula C14H14S and a molecular weight of 214.08 g/mol. Key physical properties include a density of 1.0712 at 122 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 70 °F (NTP, 1992). Synonyms include Dibenzyl sulfide and BENZYL SULFIDE.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Dibenzyl sulfide
Property Insights of Dibenzyl sulfide
The XLogP value of 3.9 indicates that Dibenzyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Dibenzyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzyl sulfide 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
What is the CAS number of Dibenzyl sulfide?
The CAS number of Dibenzyl sulfide is 538-74-9.
What is the molecular formula of Dibenzyl sulfide?
The molecular formula of Dibenzyl sulfide is C14H14S.
What is the molecular weight of Dibenzyl sulfide?
The molecular weight of Dibenzyl sulfide is 214.08162 g/mol.
What are the applications of Dibenzyl sulfide?
Dibenzyl sulfide is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Dibenzyl sulfide?
You can request a quote for Dibenzyl sulfide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dibenzyl sulfide?
Yes, CoreyChem provides custom synthesis services for Dibenzyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.