4-Methylbenzyl methyl sulfide
TL;DR: 4-Methylbenzyl methyl sulfide (CAS 5925-57-5) is a chemical compound with molecular formula C9H12S and molecular weight 152.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(methylsulfanylmethyl)benzene
Also Known As: 4-Methylbenzyl methyl sulfide, methyl(4-methylbenzyl)sulfane, methyl p-methylbenzyl thioether, 1-methyl-4-(methylsulfanylmethyl)benzene, 1-methyl-4-[(methylsulfanyl)methyl]benzene
| Molecular Formula | C9H12S |
|---|---|
| Molecular Weight | 152.07 g/mol |
| LogP | 2.85802 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.06598 |
| Heavy Atoms | 10 |
| Complexity | 188.38817 |
Chemical Identifiers
| CAS Number | 5925-57-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC |
Product Overview
4-Methylbenzyl methyl sulfide (CAS 5925-57-5), with molecular formula C9H12S and molecular weight 152.07 g/mol. IUPAC: 1-methyl-4-(methylsulfanylmethyl)benzene.
Chemical Property Profile of 4-Methylbenzyl methyl sulfide
Property Insights of 4-Methylbenzyl methyl sulfide
The XLogP value of 2.85802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylbenzyl methyl sulfide. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Methylbenzyl methyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylbenzyl methyl 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
Frequently Asked Questions
What is the CAS number of 4-Methylbenzyl methyl sulfide?
The CAS number of 4-Methylbenzyl methyl sulfide is 5925-57-5.
What is the molecular formula of 4-Methylbenzyl methyl sulfide?
The molecular formula of 4-Methylbenzyl methyl sulfide is C9H12S.
What is the molecular weight of 4-Methylbenzyl methyl sulfide?
The molecular weight of 4-Methylbenzyl methyl sulfide is 152.07 g/mol.
Where can I buy 4-Methylbenzyl methyl sulfide?
You can request a quote for 4-Methylbenzyl methyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylbenzyl methyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylbenzyl methyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.