Di-p-tolyl sulphide
TL;DR: Di-p-tolyl sulphide (CAS 620-94-0) 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.
1-methyl-4-(4-methylphenyl)sulfanylbenzene
Also Known As: Di-p-tolyl sulphide, di-p-tolylsulphide, p-tolyl sulfide, dip-tolylsulfane, di-p-tolylsulfane
| Molecular Formula | C14H14S |
|---|---|
| Molecular Weight | 214.08 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.08162 |
| Heavy Atoms | 15 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 620-94-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=CC=C(C=C2)C |
| InChIKey | NRXWFTYEJYEOGW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Di-p-tolyl sulphide (CAS 620-94-0), with molecular formula C14H14S and molecular weight 214.08 g/mol. IUPAC: 1-methyl-4-(4-methylphenyl)sulfanylbenzene.
Chemical Property Profile of Di-p-tolyl sulphide
Property Insights of Di-p-tolyl sulphide
The XLogP value of 4.7 indicates that Di-p-tolyl sulphide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Di-p-tolyl sulphide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Di-p-tolyl sulphide 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 Di-p-tolyl sulphide?
The CAS number of Di-p-tolyl sulphide is 620-94-0.
What is the molecular formula of Di-p-tolyl sulphide?
The molecular formula of Di-p-tolyl sulphide is C14H14S.
What is the molecular weight of Di-p-tolyl sulphide?
The molecular weight of Di-p-tolyl sulphide is 214.08 g/mol.
Where can I buy Di-p-tolyl sulphide?
You can request a quote for Di-p-tolyl sulphide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-p-tolyl sulphide?
Yes, KEHONG BIO provides custom synthesis services for Di-p-tolyl sulphide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.