Mesulfen
TL;DR: Mesulfen (CAS 135-58-0) is a chemical compound with molecular formula C14H12S2 and molecular weight 244.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7-dimethylthianthrene
Also Known As: Mesulfen, Mesulphen, 2,7-Dimethylthianthrene, Thianthol, Neosulfine
| Molecular Formula | C14H12S2 |
|---|---|
| Molecular Weight | 244.04 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 244.03804 |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 135-58-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SC3=C(S2)C=CC(=C3)C |
| InChIKey | AHXDSVSZEZHDLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mesulfen (CAS 135-58-0), with molecular formula C14H12S2 and molecular weight 244.04 g/mol. IUPAC: 2,7-dimethylthianthrene.
Chemical Property Profile of Mesulfen
Property Insights of Mesulfen
The XLogP value of 4.9 indicates that Mesulfen is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, Mesulfen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mesulfen 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 Mesulfen?
The CAS number of Mesulfen is 135-58-0.
What is the molecular formula of Mesulfen?
The molecular formula of Mesulfen is C14H12S2.
What is the molecular weight of Mesulfen?
The molecular weight of Mesulfen is 244.04 g/mol.
Where can I buy Mesulfen?
You can request a quote for Mesulfen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mesulfen?
Yes, KEHONG BIO provides custom synthesis services for Mesulfen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.