2,5-Dimethylthioanisole
TL;DR: 2,5-Dimethylthioanisole (CAS 66623-67-4) 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.
1,4-dimethyl-2-methylsulfanylbenzene
Also Known As: 2,5-Dimethylthioanisole, (2,5-Dimethylphenyl)(methyl)sulfane, 1,4-dimethyl-2-methylsulfanylbenzene, 1,4-dimethyl-2-methylthiobenzene, Methyl 2,5-dimethylphenyl sulfide
| Molecular Formula | C9H12S |
|---|---|
| Molecular Weight | 152.07 g/mol |
| LogP | 3.02534 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.06598 |
| Heavy Atoms | 10 |
| Complexity | 228.16992 |
Chemical Identifiers
| CAS Number | 66623-67-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)SC |
Product Overview
2,5-Dimethylthioanisole (CAS 66623-67-4), with molecular formula C9H12S and molecular weight 152.07 g/mol. IUPAC: 1,4-dimethyl-2-methylsulfanylbenzene.
Chemical Property Profile of 2,5-Dimethylthioanisole
Property Insights of 2,5-Dimethylthioanisole
The XLogP value of 3.02534 indicates that 2,5-Dimethylthioanisole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,5-Dimethylthioanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethylthioanisole 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 2,5-Dimethylthioanisole?
The CAS number of 2,5-Dimethylthioanisole is 66623-67-4.
What is the molecular formula of 2,5-Dimethylthioanisole?
The molecular formula of 2,5-Dimethylthioanisole is C9H12S.
What is the molecular weight of 2,5-Dimethylthioanisole?
The molecular weight of 2,5-Dimethylthioanisole is 152.07 g/mol.
Where can I buy 2,5-Dimethylthioanisole?
You can request a quote for 2,5-Dimethylthioanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethylthioanisole?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethylthioanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.