4-Bromobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide
TL;DR: 4-Bromobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide (CAS 42755-33-9) is a chemical compound with molecular formula C10H9BrN2S2 and molecular weight 299.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole
Also Known As: 4-bromobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide, 2-[(4-bromobenzyl)sulfanyl]-5-methyl-1,3,4-thiadiazole, 2-((4-Bromobenzyl)thio)-5-methyl-1,3,4-thiadiazole, AN-465/41995633, 2-[(4-bromophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole
| Molecular Formula | C10H9BrN2S2 |
|---|---|
| Molecular Weight | 299.94 g/mol |
| LogP | 3.90132 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.93906 |
| Heavy Atoms | 15 |
| Complexity | 438.93796 |
Chemical Identifiers
| CAS Number | 42755-33-9 |
|---|---|
| SMILES | CC1=NN=C(S1)SCC2=CC=C(C=C2)Br |
Product Overview
4-Bromobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide (CAS 42755-33-9), with molecular formula C10H9BrN2S2 and molecular weight 299.94 g/mol. IUPAC: 2-[(4-bromophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole.
Chemical Property Profile of 4-Bromobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide
Property Insights of 4-Bromobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide
The XLogP value of 3.90132 indicates that 4-Bromobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 4-Bromobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide has 0 hydrogen bond donor(s) and 4 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 4-Bromobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide?
The CAS number of 4-Bromobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide is 42755-33-9.
What is the molecular formula of 4-Bromobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide?
The molecular formula of 4-Bromobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide is C10H9BrN2S2.
What is the molecular weight of 4-Bromobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide?
The molecular weight of 4-Bromobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide is 299.94 g/mol.
Where can I buy 4-Bromobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide?
You can request a quote for 4-Bromobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.