Bis(3-bromo-1,2,4-thiadiazol-5-ylthio)methane
TL;DR: Bis(3-bromo-1,2,4-thiadiazol-5-ylthio)methane (CAS 444791-14-4) is a chemical compound with molecular formula C5H2Br2N4S4 and molecular weight 403.75 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-5-[(3-bromo-1,2,4-thiadiazol-5-yl)sulfanylmethylsulfanyl]-1,2,4-thiadiazole
Also Known As: Bis(3-bromo-1,2,4-thiadiazol-5-ylthio)methane, BIS METHANE, Bis((3-bromo-1,2,4-thiadiazol-5-yl)thio)methane, 3-bromo-5-[(3-bromo-1,2,4-thiadiazol-5-yl)sulfanylmethylsulfanyl]-1,2,4-thiadiazole, AI-067/31569056
| Molecular Formula | C5H2Br2N4S4 |
|---|---|
| Molecular Weight | 403.75 g/mol |
| LogP | 3.7565 |
| Topological Polar Surface Area | 51.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.7529 |
| Heavy Atoms | 15 |
| Complexity | 403.42883 |
Chemical Identifiers
| CAS Number | 444791-14-4 |
|---|---|
| SMILES | C(SC1=NC(=NS1)Br)SC2=NC(=NS2)Br |
Product Overview
Bis(3-bromo-1,2,4-thiadiazol-5-ylthio)methane (CAS 444791-14-4), with molecular formula C5H2Br2N4S4 and molecular weight 403.75 g/mol. IUPAC: 3-bromo-5-[(3-bromo-1,2,4-thiadiazol-5-yl)sulfanylmethylsulfanyl]-1,2,4-thiadiazole.
Chemical Property Profile of Bis(3-bromo-1,2,4-thiadiazol-5-ylthio)methane
Property Insights of Bis(3-bromo-1,2,4-thiadiazol-5-ylthio)methane
The XLogP value of 3.7565 indicates that Bis(3-bromo-1,2,4-thiadiazol-5-ylthio)methane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.56 Ų, Bis(3-bromo-1,2,4-thiadiazol-5-ylthio)methane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(3-bromo-1,2,4-thiadiazol-5-ylthio)methane has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(3-bromo-1,2,4-thiadiazol-5-ylthio)methane?
The CAS number of Bis(3-bromo-1,2,4-thiadiazol-5-ylthio)methane is 444791-14-4.
What is the molecular formula of Bis(3-bromo-1,2,4-thiadiazol-5-ylthio)methane?
The molecular formula of Bis(3-bromo-1,2,4-thiadiazol-5-ylthio)methane is C5H2Br2N4S4.
What is the molecular weight of Bis(3-bromo-1,2,4-thiadiazol-5-ylthio)methane?
The molecular weight of Bis(3-bromo-1,2,4-thiadiazol-5-ylthio)methane is 403.75 g/mol.
Where can I buy Bis(3-bromo-1,2,4-thiadiazol-5-ylthio)methane?
You can request a quote for Bis(3-bromo-1,2,4-thiadiazol-5-ylthio)methane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(3-bromo-1,2,4-thiadiazol-5-ylthio)methane?
Yes, KEHONG BIO provides custom synthesis services for Bis(3-bromo-1,2,4-thiadiazol-5-ylthio)methane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.