EAT3SE8WZT
TL;DR: EAT3SE8WZT (CAS 84586-84-5) is a chemical compound with molecular formula C16H11ClN4S3 and molecular weight 389.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(4-chlorophenyl)-1,3,4-thiadiazole-2-thione
Also Known As: 3-((1H-Benzimidazol-2-ylthio)methyl)-5-(4-chlorophenyl)-1,3,4-thiadiazole-2(3H)-thione, 3-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(4-chlorophenyl)-1,3,4-thiadiazole-2-thione, 3-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(4-chlorophenyl)-1,, 3-(((1H-Benzo[d]imidazol-2-yl)thio)methyl)-5-(4-chlorophenyl)-1,3,4-thiadiazole-2(3H)-thione, 1,3,4-Thiadiazole-2(3H)-thione, 3-[(1H-benzimidazol-2-ylthio)methyl]-5-(4-chlorophenyl)-
| Molecular Formula | C16H11ClN4S3 |
|---|---|
| Molecular Weight | 389.98 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.98343 |
| Heavy Atoms | 24 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 84586-84-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SCN3C(=S)SC(=N3)C4=CC=C(C=C4)Cl |
| InChIKey | KDTVVKXQKOXDCU-UHFFFAOYSA-N |
Product Overview
EAT3SE8WZT (CAS 84586-84-5), with molecular formula C16H11ClN4S3 and molecular weight 389.98 g/mol. IUPAC: 3-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(4-chlorophenyl)-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of EAT3SE8WZT
Property Insights of EAT3SE8WZT
The XLogP value of 5.6 indicates that EAT3SE8WZT is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EAT3SE8WZT. Following Lipinski's Rule of Five, EAT3SE8WZT has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EAT3SE8WZT?
The CAS number of EAT3SE8WZT is 84586-84-5.
What is the molecular formula of EAT3SE8WZT?
The molecular formula of EAT3SE8WZT is C16H11ClN4S3.
What is the molecular weight of EAT3SE8WZT?
The molecular weight of EAT3SE8WZT is 389.98 g/mol.
Where can I buy EAT3SE8WZT?
You can request a quote for EAT3SE8WZT directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EAT3SE8WZT?
Yes, KEHONG BIO provides custom synthesis services for EAT3SE8WZT and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.