甲基4-甲基苯基亚砜
TL;DR: 甲基4-甲基苯基亚砜 (CAS 5056-07-5) is a chemical compound with molecular formula CC1=CC=C(C=C1)S(=O)C and molecular weight 154.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲基4-甲基苯基亚砜
1-methyl-4-methylsulfinylbenzene
Also Known As: 1-Methyl-4-(methylsulfinyl)benzene, Methyl p-tolyl sulfoxide, 1-methyl-4-methylsulfinylbenzene, Methyl 4-methylphenylsulfoxide, 1-Methanesulfinyl-4-methylbenzene
| Molecular Formula | CC1=CC=C(C=C1)S(=O)C |
|---|---|
| Molecular Weight | 154.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.04524 |
| Heavy Atoms | 10 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 5056-07-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)C |
| InChIKey | FEVALTJSQBFLEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲基4-甲基苯基亚砜 (CAS 5056-07-5), with molecular formula CC1=CC=C(C=C1)S(=O)C and molecular weight 154.05 g/mol. IUPAC: 1-methyl-4-methylsulfinylbenzene.
Chemical Property Profile of 甲基4-甲基苯基亚砜
Property Insights of 甲基4-甲基苯基亚砜
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲基4-甲基苯基亚砜. With a topological polar surface area (TPSA) of 36.3 Ų, 甲基4-甲基苯基亚砜 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲基4-甲基苯基亚砜 has 0 hydrogen bond donor(s) and 2 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 甲基4-甲基苯基亚砜?
The CAS number of 甲基4-甲基苯基亚砜 is 5056-07-5.
What is the molecular formula of 甲基4-甲基苯基亚砜?
The molecular formula of 甲基4-甲基苯基亚砜 is CC1=CC=C(C=C1)S(=O)C.
What is the molecular weight of 甲基4-甲基苯基亚砜?
The molecular weight of 甲基4-甲基苯基亚砜 is 154.05 g/mol.
Where can I buy 甲基4-甲基苯基亚砜?
You can request a quote for 甲基4-甲基苯基亚砜 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲基4-甲基苯基亚砜?
Yes, KEHONG BIO provides custom synthesis services for 甲基4-甲基苯基亚砜 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.