双(4-甲基苄基)硫醚
TL;DR: 双(4-甲基苄基)硫醚 (CAS 13250-88-9) is a chemical compound with molecular formula C16H18S and molecular weight 242.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双(4-甲基苄基)硫醚
1-methyl-4-[(4-methylphenyl)methylsulfanylmethyl]benzene
Also Known As: Sulfide, bis(4-methylbenzyl)-, p-tolyl-methyl sulphide, bis(4-methylbenzyl) sulfide, Bis(p-methylbenzyl) sulfide, di-(p-methylbenzyl) sulfide
| Molecular Formula | C16H18S |
|---|---|
| Molecular Weight | 242.11 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.11292 |
| Heavy Atoms | 17 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 13250-88-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSCC2=CC=C(C=C2)C |
| InChIKey | KGBYNVUSDGMXEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
双(4-甲基苄基)硫醚 (CAS 13250-88-9), with molecular formula C16H18S and molecular weight 242.11 g/mol. IUPAC: 1-methyl-4-[(4-methylphenyl)methylsulfanylmethyl]benzene.
Chemical Property Profile of 双(4-甲基苄基)硫醚
Property Insights of 双(4-甲基苄基)硫醚
The XLogP value of 4.6 indicates that 双(4-甲基苄基)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, 双(4-甲基苄基)硫醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 双(4-甲基苄基)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 双(4-甲基苄基)硫醚?
The CAS number of 双(4-甲基苄基)硫醚 is 13250-88-9.
What is the molecular formula of 双(4-甲基苄基)硫醚?
The molecular formula of 双(4-甲基苄基)硫醚 is C16H18S.
What is the molecular weight of 双(4-甲基苄基)硫醚?
The molecular weight of 双(4-甲基苄基)硫醚 is 242.11 g/mol.
Where can I buy 双(4-甲基苄基)硫醚?
You can request a quote for 双(4-甲基苄基)硫醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双(4-甲基苄基)硫醚?
Yes, KEHONG BIO provides custom synthesis services for 双(4-甲基苄基)硫醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.