2-Methylphenoxathiin
TL;DR: 2-Methylphenoxathiin (CAS 6103-33-9) is a chemical compound with molecular formula C13H10OS and molecular weight 214.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylphenoxathiine
Also Known As: 2-Methylphenoxathiin, 2-methylphenoxathiine, Phenoxathiin, 2-methyl-, J3.175.690A, RefChem:263917
| Molecular Formula | C13H10OS |
|---|---|
| Molecular Weight | 214.05 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 214.04524 |
| Heavy Atoms | 15 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 6103-33-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC3=CC=CC=C3S2 |
| InChIKey | BHEPNKKGEJFULV-UHFFFAOYSA-N |
Product Overview
2-Methylphenoxathiin (CAS 6103-33-9), with molecular formula C13H10OS and molecular weight 214.05 g/mol. IUPAC: 2-methylphenoxathiine.
Chemical Property Profile of 2-Methylphenoxathiin
Property Insights of 2-Methylphenoxathiin
The XLogP value of 4.9 indicates that 2-Methylphenoxathiin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.5 Ų, 2-Methylphenoxathiin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylphenoxathiin 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-Methylphenoxathiin?
The CAS number of 2-Methylphenoxathiin is 6103-33-9.
What is the molecular formula of 2-Methylphenoxathiin?
The molecular formula of 2-Methylphenoxathiin is C13H10OS.
What is the molecular weight of 2-Methylphenoxathiin?
The molecular weight of 2-Methylphenoxathiin is 214.05 g/mol.
Where can I buy 2-Methylphenoxathiin?
You can request a quote for 2-Methylphenoxathiin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylphenoxathiin?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylphenoxathiin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.