Ditophal
TL;DR: Ditophal (CAS 584-69-0) is a chemical compound with molecular formula C12H14O2S2 and molecular weight 254.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-S,3-S-diethyl benzene-1,3-dicarbothioate
Also Known As: Ditophal, Etisul, Ditofal, Etusil, Ditophal [INN:BAN]
| Molecular Formula | C12H14O2S2 |
|---|---|
| Molecular Weight | 254.04 g/mol |
| LogP | 3.4732 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.04352 |
| Heavy Atoms | 16 |
| Complexity | 355.11008 |
Chemical Identifiers
| CAS Number | 584-69-0 |
|---|---|
| SMILES | CCSC(=O)C1=CC(=CC=C1)C(=O)SCC |
Product Overview
Ditophal (CAS 584-69-0), with molecular formula C12H14O2S2 and molecular weight 254.04 g/mol. IUPAC: 1-S,3-S-diethyl benzene-1,3-dicarbothioate.
Chemical Property Profile of Ditophal
Property Insights of Ditophal
The XLogP value of 3.4732 indicates that Ditophal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, Ditophal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ditophal has 0 hydrogen bond donor(s) and 4 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 Ditophal?
The CAS number of Ditophal is 584-69-0.
What is the molecular formula of Ditophal?
The molecular formula of Ditophal is C12H14O2S2.
What is the molecular weight of Ditophal?
The molecular weight of Ditophal is 254.04 g/mol.
Where can I buy Ditophal?
You can request a quote for Ditophal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ditophal?
Yes, KEHONG BIO provides custom synthesis services for Ditophal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.