Bis(4-chlorobenzyl) 1,2-ethanediylbiscarbamodithioate
TL;DR: Bis(4-chlorobenzyl) 1,2-ethanediylbiscarbamodithioate (CAS 1170-79-2) is a chemical compound with molecular formula C18H18Cl2N2S4 and molecular weight 459.973 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-chlorophenyl)methyl N-[2-[(4-chlorophenyl)methylsulfanylcarbothioylamino]ethyl]carbamodithioate
Also Known As: Bis(4-chlorobenzyl) 1,2-ethanediylbiscarbamodithioate, (4-chlorophenyl)methyl N-[2-[(4-chlorophenyl)methylsulfanylcarbothioylamino]ethyl]carbamodithioate, Bis[(4-chlorophenyl)methyl] ethane-1,2-diylbiscarbamodithioate, 1-[(4-chlorophenyl)methylsulfanyl]-N-[2-[(4-chlorophenyl)methylsulfany lcarbothioylamino]ethyl]metha, Carbamicacid,ethylenebis[dithio-,bis(p-chlorobenzyl) ester (6CI,7CI,8CI)
Technical Specifications
| Molecular Formula | C18H18Cl2N2S4 |
| Molecular Weight | 459.973 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 459.973 Da |
| Heavy Atoms | 26 |
| Complexity | 397.0 |
| SMILES | C1=CC(=CC=C1CSC(=S)NCCNC(=S)SCC2=CC=C(C=C2)Cl)Cl |
| InChIKey | HWEHBWWWDMTJDO-UHFFFAOYSA-N |
Chemical Property Profile of Bis(4-chlorobenzyl) 1,2-ethanediylbiscarbamodithioate
Property Insights of Bis(4-chlorobenzyl) 1,2-ethanediylbiscarbamodithioate
The XLogP value of 6.2 indicates that Bis(4-chlorobenzyl) 1,2-ethanediylbiscarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(4-chlorobenzyl) 1,2-ethanediylbiscarbamodithioate. Following Lipinski's Rule of Five, Bis(4-chlorobenzyl) 1,2-ethanediylbiscarbamodithioate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Bis(4-chlorobenzyl) 1,2-ethanediylbiscarbamodithioate?
The CAS number of Bis(4-chlorobenzyl) 1,2-ethanediylbiscarbamodithioate is 1170-79-2.
What is the molecular formula of Bis(4-chlorobenzyl) 1,2-ethanediylbiscarbamodithioate?
The molecular formula of Bis(4-chlorobenzyl) 1,2-ethanediylbiscarbamodithioate is C18H18Cl2N2S4.
What is the molecular weight of Bis(4-chlorobenzyl) 1,2-ethanediylbiscarbamodithioate?
The molecular weight of Bis(4-chlorobenzyl) 1,2-ethanediylbiscarbamodithioate is 459.973 g/mol.
Where can I buy Bis(4-chlorobenzyl) 1,2-ethanediylbiscarbamodithioate?
You can request a quote for Bis(4-chlorobenzyl) 1,2-ethanediylbiscarbamodithioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bis(4-chlorobenzyl) 1,2-ethanediylbiscarbamodithioate?
Yes, CoreyChem provides custom synthesis services for Bis(4-chlorobenzyl) 1,2-ethanediylbiscarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.