RefChem:333452
TL;DR: RefChem:333452 (CAS 71605-60-2) is a chemical compound with molecular formula C19H20N6S5 and molecular weight 492.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[2-[2,1,3-benzothiadiazol-4-yl(methyl)amino]ethylsulfanyl]methanethione
Also Known As: Carbonic acid, trithio-, bis(2-((2,1,3-benzothia(S(sup IV))diazol-4-yl)methylamino)ethyl)ester, S,S',beta,beta',N,N-(4-Methylbenzo-2,1,3-thiadiazolyl)aminoethylthiocarbonate, bis[2-[2,1,3-benzothiadiazol-4-yl(methyl)amino]ethylsulfanyl]methanethione, Bis{2-[(2,1,3-benzothiadiazol-4-yl)(methyl)amino]ethyl} carbonotrithioate, BRN 5413434
| Molecular Formula | C19H20N6S5 |
|---|---|
| Molecular Weight | 492.04 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 492.0353 |
| Heavy Atoms | 30 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 71605-60-2 |
|---|---|
| SMILES | CN(CCSC(=S)SCCN(C)C1=CC=CC2=NSN=C21)C3=CC=CC4=NSN=C43 |
| InChIKey | SXXLKGQQCPHSAA-UHFFFAOYSA-N |
Product Overview
RefChem:333452 (CAS 71605-60-2), with molecular formula C19H20N6S5 and molecular weight 492.04 g/mol. IUPAC: bis[2-[2,1,3-benzothiadiazol-4-yl(methyl)amino]ethylsulfanyl]methanethione.
Chemical Property Profile of RefChem:333452
Property Insights of RefChem:333452
The XLogP value of 5.6 indicates that RefChem:333452 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 197.0 Ų indicates high polarity, suggesting RefChem:333452 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:333452 has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:333452?
The CAS number of RefChem:333452 is 71605-60-2.
What is the molecular formula of RefChem:333452?
The molecular formula of RefChem:333452 is C19H20N6S5.
What is the molecular weight of RefChem:333452?
The molecular weight of RefChem:333452 is 492.04 g/mol.
Where can I buy RefChem:333452?
You can request a quote for RefChem:333452 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:333452?
Yes, KEHONG BIO provides custom synthesis services for RefChem:333452 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.