1-Methoxythianthrene
TL;DR: 1-Methoxythianthrene (CAS 109014-97-3) is a chemical compound with molecular formula C13H10OS2 and molecular weight 246.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxythianthrene
Also Known As: 1-methoxythianthrene, J3.416.981K, 661-037-1, RefChem:433604
| Molecular Formula | C13H10OS2 |
|---|---|
| Molecular Weight | 246.02 g/mol |
| LogP | 4.311 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.0173 |
| Heavy Atoms | 16 |
| Complexity | 537.2059 |
Chemical Identifiers
| CAS Number | 109014-97-3 |
|---|---|
| SMILES | COC1=C2C(=CC=C1)SC3=CC=CC=C3S2 |
Product Overview
1-Methoxythianthrene (CAS 109014-97-3), with molecular formula C13H10OS2 and molecular weight 246.02 g/mol. IUPAC: 1-methoxythianthrene.
Chemical Property Profile of 1-Methoxythianthrene
Property Insights of 1-Methoxythianthrene
The XLogP value of 4.311 indicates that 1-Methoxythianthrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 1-Methoxythianthrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methoxythianthrene has 0 hydrogen bond donor(s) and 3 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 1-Methoxythianthrene?
The CAS number of 1-Methoxythianthrene is 109014-97-3.
What is the molecular formula of 1-Methoxythianthrene?
The molecular formula of 1-Methoxythianthrene is C13H10OS2.
What is the molecular weight of 1-Methoxythianthrene?
The molecular weight of 1-Methoxythianthrene is 246.02 g/mol.
Where can I buy 1-Methoxythianthrene?
You can request a quote for 1-Methoxythianthrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methoxythianthrene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methoxythianthrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.