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 459.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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)
| Molecular Formula | C18H18Cl2N2S4 |
|---|---|
| Molecular Weight | 459.97 g/mol |
| LogP | 5.909 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.973 |
| Heavy Atoms | 26 |
| Complexity | 657.4759 |
Chemical Identifiers
| CAS Number | 1170-79-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC(=S)NCCNC(=S)SCC2=CC=C(C=C2)Cl)Cl |
Product Overview
Bis(4-chlorobenzyl) 1,2-ethanediylbiscarbamodithioate (CAS 1170-79-2), with molecular formula C18H18Cl2N2S4 and molecular weight 459.97 g/mol. IUPAC: (4-chlorophenyl)methyl N-[2-[(4-chlorophenyl)methylsulfanylcarbothioylamino]ethyl]carbamodithioate.
Chemical Property Profile of Bis(4-chlorobenzyl) 1,2-ethanediylbiscarbamodithioate
Property Insights of Bis(4-chlorobenzyl) 1,2-ethanediylbiscarbamodithioate
The XLogP value of 5.909 indicates that Bis(4-chlorobenzyl) 1,2-ethanediylbiscarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.06 Ų, Bis(4-chlorobenzyl) 1,2-ethanediylbiscarbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. 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
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 459.97 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(4-chlorobenzyl) 1,2-ethanediylbiscarbamodithioate?
Yes, KEHONG BIO 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.