Thiraldin
TL;DR: Thiraldin (CAS 37262-63-8) is a chemical compound with molecular formula C18H20Cl6N2O2S2 and molecular weight 569.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(dimethylcarbamoylsulfanyl) N,N-dimethylcarbamothioate;1,8,9,10,12,12-hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene
Also Known As: Thiraldin, Thiram-aldrin, Aldrex T, Aldrin-TMTD mixt, Kombi-Tutan-Aldrin
| Molecular Formula | C18H20Cl6N2O2S2 |
|---|---|
| Molecular Weight | 569.91 g/mol |
| LogP | 7.0012 |
| Topological Polar Surface Area | 91.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 569.9097 |
| Heavy Atoms | 30 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 37262-63-8 |
|---|---|
| SMILES | CN(C)C(=O)SSC(=O)N(C)C.C1C2(C3C4C=CC(C3C1(C(=C2Cl)Cl)Cl)C4(Cl)Cl)Cl |
| InChIKey | LHOYEKYXSTZJAF-UHFFFAOYSA-N |
Product Overview
Thiraldin (CAS 37262-63-8), with molecular formula C18H20Cl6N2O2S2 and molecular weight 569.91 g/mol. IUPAC: S-(dimethylcarbamoylsulfanyl) N,N-dimethylcarbamothioate;1,8,9,10,12,12-hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene.
Chemical Property Profile of Thiraldin
Property Insights of Thiraldin
The XLogP value of 7.0012 indicates that Thiraldin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiraldin. Following Lipinski's Rule of Five, Thiraldin has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thiraldin?
The CAS number of Thiraldin is 37262-63-8.
What is the molecular formula of Thiraldin?
The molecular formula of Thiraldin is C18H20Cl6N2O2S2.
What is the molecular weight of Thiraldin?
The molecular weight of Thiraldin is 569.91 g/mol.
Where can I buy Thiraldin?
You can request a quote for Thiraldin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiraldin?
Yes, KEHONG BIO provides custom synthesis services for Thiraldin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.