2,4,5-Trichlorophenyl methyl sulfoxide
TL;DR: 2,4,5-Trichlorophenyl methyl sulfoxide (CAS 95237-17-5) is a chemical compound with molecular formula C7H5Cl3OS and molecular weight 241.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-trichloro-5-methylsulfinylbenzene
Also Known As: 2,4,5-Trichlorophenyl methyl sulfoxide, 1,2,4-trichloro-5-methylsulfinylbenzene, 1,2,4-trichloro-5-methylsulfinyl-benzene, Benzene, 1,2,4-trichloro-5-(methylsulfinyl)-, 1,2,4-Trichloro-5-(methanesulfinyl)benzene
| Molecular Formula | C7H5Cl3OS |
|---|---|
| Molecular Weight | 241.91 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.91267 |
| Heavy Atoms | 12 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 95237-17-5 |
|---|---|
| SMILES | CS(=O)C1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | YSXZCSCAXDXNNP-UHFFFAOYSA-N |
Product Overview
2,4,5-Trichlorophenyl methyl sulfoxide (CAS 95237-17-5), with molecular formula C7H5Cl3OS and molecular weight 241.91 g/mol. IUPAC: 1,2,4-trichloro-5-methylsulfinylbenzene.
Chemical Property Profile of 2,4,5-Trichlorophenyl methyl sulfoxide
Property Insights of 2,4,5-Trichlorophenyl methyl sulfoxide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,5-Trichlorophenyl methyl sulfoxide. With a topological polar surface area (TPSA) of 36.3 Ų, 2,4,5-Trichlorophenyl methyl sulfoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5-Trichlorophenyl methyl sulfoxide 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 2,4,5-Trichlorophenyl methyl sulfoxide?
The CAS number of 2,4,5-Trichlorophenyl methyl sulfoxide is 95237-17-5.
What is the molecular formula of 2,4,5-Trichlorophenyl methyl sulfoxide?
The molecular formula of 2,4,5-Trichlorophenyl methyl sulfoxide is C7H5Cl3OS.
What is the molecular weight of 2,4,5-Trichlorophenyl methyl sulfoxide?
The molecular weight of 2,4,5-Trichlorophenyl methyl sulfoxide is 241.91 g/mol.
Where can I buy 2,4,5-Trichlorophenyl methyl sulfoxide?
You can request a quote for 2,4,5-Trichlorophenyl methyl sulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,5-Trichlorophenyl methyl sulfoxide?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-Trichlorophenyl methyl sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.