Thirahexalin
TL;DR: Thirahexalin (CAS 51568-42-4) is a chemical compound with molecular formula C18H18Cl12N2O2S2 and molecular weight 777.71 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(dimethylcarbamoylsulfanyl) N,N-dimethylcarbamothioate;1,2,3,4,5,6-hexachlorobenzene;1,2,3,4,5,6-hexachlorocyclohexane
Also Known As: Thirahexalin, Thiram, hexachlorobenzene, mixed with lindane, Thioperoxydicarbonic diamide, tetramethyl-, mixt. with hexachlorobenzene and (1alpha,2alpha,3beta,4alpha,5alpha,6beta)-1,2,3,4,5,6-hexachlorocyclohexane, S-(dimethylcarbamoylsulfanyl) N,N-dimethylcarbamothioate; 1,2,3,4,5,6-hexachlorobenzene; 1,2,3,4,5,6-hexachlorocyclohexane
| Molecular Formula | C18H18Cl12N2O2S2 |
|---|---|
| Molecular Weight | 777.71 g/mol |
| LogP | 10.9824 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 777.7072 |
| Heavy Atoms | 36 |
| Complexity | 727.79193 |
Chemical Identifiers
| CAS Number | 51568-42-4 |
|---|---|
| SMILES | CN(C)C(=O)SSC(=O)N(C)C.C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl |
Product Overview
Thirahexalin (CAS 51568-42-4), with molecular formula C18H18Cl12N2O2S2 and molecular weight 777.71 g/mol. IUPAC: S-(dimethylcarbamoylsulfanyl) N,N-dimethylcarbamothioate;1,2,3,4,5,6-hexachlorobenzene;1,2,3,4,5,6-hexachlorocyclohexane.
Chemical Property Profile of Thirahexalin
Property Insights of Thirahexalin
The XLogP value of 10.9824 indicates that Thirahexalin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, Thirahexalin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thirahexalin 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 Thirahexalin?
The CAS number of Thirahexalin is 51568-42-4.
What is the molecular formula of Thirahexalin?
The molecular formula of Thirahexalin is C18H18Cl12N2O2S2.
What is the molecular weight of Thirahexalin?
The molecular weight of Thirahexalin is 777.71 g/mol.
Where can I buy Thirahexalin?
You can request a quote for Thirahexalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thirahexalin?
Yes, KEHONG BIO provides custom synthesis services for Thirahexalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.