1,2-Dimethylthianthrene
TL;DR: 1,2-Dimethylthianthrene (CAS 29351-51-7) 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.
1,2-dimethylthianthrene
Also Known As: Dimethylthianthrene, Dimethylthianthren, 1,2-dimethylthianthrene, EINECS 249-581-4, Thianthrene, dimethyl-(6CI,8CI,9CI)
| Molecular Formula | C14H12S2 |
|---|---|
| Molecular Weight | 244.04 g/mol |
| LogP | 4.91924 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 244.03804 |
| Heavy Atoms | 16 |
| Complexity | 558.657 |
Chemical Identifiers
| CAS Number | 29351-51-7 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)SC3=CC=CC=C3S2)C |
Product Overview
1,2-Dimethylthianthrene (CAS 29351-51-7), with molecular formula C14H12S2 and molecular weight 244.04 g/mol. IUPAC: 1,2-dimethylthianthrene.
Chemical Property Profile of 1,2-Dimethylthianthrene
Property Insights of 1,2-Dimethylthianthrene
The XLogP value of 4.91924 indicates that 1,2-Dimethylthianthrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2-Dimethylthianthrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-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 1,2-Dimethylthianthrene?
The CAS number of 1,2-Dimethylthianthrene is 29351-51-7.
What is the molecular formula of 1,2-Dimethylthianthrene?
The molecular formula of 1,2-Dimethylthianthrene is C14H12S2.
What is the molecular weight of 1,2-Dimethylthianthrene?
The molecular weight of 1,2-Dimethylthianthrene is 244.04 g/mol.
Where can I buy 1,2-Dimethylthianthrene?
You can request a quote for 1,2-Dimethylthianthrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dimethylthianthrene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dimethylthianthrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.