2,8-Dimethylthianthrene
TL;DR: 2,8-Dimethylthianthrene (CAS 55214-93-2) 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.
2,8-dimethylthianthrene
Also Known As: Mesulfen, Thiantholum, 2,8-dimethylthianthrene, Thianthrene,2,8-dimethyl, Thianthrene, 2,8-dimethyl-
| 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 | 229.0 |
Chemical Identifiers
| CAS Number | 55214-93-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SC3=C(S2)C=C(C=C3)C |
| InChIKey | XTLNLAUJNYMFIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,8-Dimethylthianthrene (CAS 55214-93-2), with molecular formula C14H12S2 and molecular weight 244.04 g/mol. IUPAC: 2,8-dimethylthianthrene.
Chemical Property Profile of 2,8-Dimethylthianthrene
Property Insights of 2,8-Dimethylthianthrene
The XLogP value of 4.9 indicates that 2,8-Dimethylthianthrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 2,8-Dimethylthianthrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,8-Dimethylthianthrene 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 2,8-Dimethylthianthrene?
The CAS number of 2,8-Dimethylthianthrene is 55214-93-2.
What is the molecular formula of 2,8-Dimethylthianthrene?
The molecular formula of 2,8-Dimethylthianthrene is C14H12S2.
What is the molecular weight of 2,8-Dimethylthianthrene?
The molecular weight of 2,8-Dimethylthianthrene is 244.04 g/mol.
Where can I buy 2,8-Dimethylthianthrene?
You can request a quote for 2,8-Dimethylthianthrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,8-Dimethylthianthrene?
Yes, KEHONG BIO provides custom synthesis services for 2,8-Dimethylthianthrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.