3,4-Dimethylthioanisole
TL;DR: 3,4-Dimethylthioanisole (CAS 65398-69-8) 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.
1,2-dimethyl-4-methylsulfanylbenzene
Also Known As: 3,4-Dimethylthioanisole, 1,2-dimethyl-4-(methylsulfanyl)benzene, (3,4-Dimethylphenyl)(methyl)sulfane, 1,2-dimethyl-4-methylsulfanylbenzene, 3,4-Dimethyl-phenylisothiocyanat
| 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 | 65398-69-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)SC)C |
Product Overview
3,4-Dimethylthioanisole (CAS 65398-69-8), with molecular formula C9H12S and molecular weight 152.07 g/mol. IUPAC: 1,2-dimethyl-4-methylsulfanylbenzene.
Chemical Property Profile of 3,4-Dimethylthioanisole
Property Insights of 3,4-Dimethylthioanisole
The XLogP value of 3.02534 indicates that 3,4-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, 3,4-Dimethylthioanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-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 3,4-Dimethylthioanisole?
The CAS number of 3,4-Dimethylthioanisole is 65398-69-8.
What is the molecular formula of 3,4-Dimethylthioanisole?
The molecular formula of 3,4-Dimethylthioanisole is C9H12S.
What is the molecular weight of 3,4-Dimethylthioanisole?
The molecular weight of 3,4-Dimethylthioanisole is 152.07 g/mol.
Where can I buy 3,4-Dimethylthioanisole?
You can request a quote for 3,4-Dimethylthioanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethylthioanisole?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethylthioanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.