Dimethyl 1-(2-methylphenyl)sulfanylethenyl phosphate
TL;DR: Dimethyl 1-(2-methylphenyl)sulfanylethenyl phosphate (CAS 5166-28-9) is a chemical compound with molecular formula C11H15O4PS and molecular weight 274.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-(2-methylphenyl)sulfanylethenyl phosphate
Also Known As: dimethyl 1-(2-methylphenyl)sulfanylethenyl phosphate, Dimethyl 1-[(2-methylphenyl)sulfanyl]ethen-1-yl phosphate, Phosphoric acid, dimethyl 1-[(2-methylphenyl)thio]ethenyl ester
| Molecular Formula | C11H15O4PS |
|---|---|
| Molecular Weight | 274.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 274.04288 |
| Heavy Atoms | 17 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 5166-28-9 |
|---|---|
| SMILES | CC1=CC=CC=C1SC(=C)OP(=O)(OC)OC |
| InChIKey | PYXDYFHKZXNRRV-UHFFFAOYSA-N |
Product Overview
Dimethyl 1-(2-methylphenyl)sulfanylethenyl phosphate (CAS 5166-28-9), with molecular formula C11H15O4PS and molecular weight 274.04 g/mol. IUPAC: dimethyl 1-(2-methylphenyl)sulfanylethenyl phosphate.
Chemical Property Profile of Dimethyl 1-(2-methylphenyl)sulfanylethenyl phosphate
Property Insights of Dimethyl 1-(2-methylphenyl)sulfanylethenyl phosphate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 1-(2-methylphenyl)sulfanylethenyl phosphate. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 1-(2-methylphenyl)sulfanylethenyl phosphate. Following Lipinski's Rule of Five, Dimethyl 1-(2-methylphenyl)sulfanylethenyl phosphate has 0 hydrogen bond donor(s) and 5 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 Dimethyl 1-(2-methylphenyl)sulfanylethenyl phosphate?
The CAS number of Dimethyl 1-(2-methylphenyl)sulfanylethenyl phosphate is 5166-28-9.
What is the molecular formula of Dimethyl 1-(2-methylphenyl)sulfanylethenyl phosphate?
The molecular formula of Dimethyl 1-(2-methylphenyl)sulfanylethenyl phosphate is C11H15O4PS.
What is the molecular weight of Dimethyl 1-(2-methylphenyl)sulfanylethenyl phosphate?
The molecular weight of Dimethyl 1-(2-methylphenyl)sulfanylethenyl phosphate is 274.04 g/mol.
Where can I buy Dimethyl 1-(2-methylphenyl)sulfanylethenyl phosphate?
You can request a quote for Dimethyl 1-(2-methylphenyl)sulfanylethenyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 1-(2-methylphenyl)sulfanylethenyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 1-(2-methylphenyl)sulfanylethenyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.