![5-[(2-Bromophenyl)methylthio]-1,3,4-thiadiazole-2-ylamine structure](/static/products/3117/311791-69-2.webp)
5-[(2-Bromophenyl)methylthio]-1,3,4-thiadiazole-2-ylamine
TL;DR: 5-[(2-Bromophenyl)methylthio]-1,3,4-thiadiazole-2-ylamine (CAS 311791-69-2) is a chemical compound with molecular formula C9H8BrN3S2 and molecular weight 300.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
Also Known As: 5-((2-Bromobenzyl)thio)-1,3,4-thiadiazol-2-amine, 5-((2-Bromobenzyl)thio)-1,3,4-thiadiazol-2(3h)-imine, 5-[(2-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine, 5-[(2-bromophenyl)methylthio]-1,3,4-thiadiazole-2-ylamine, 5-[(2-bromobenzyl)sulfanyl]-1,3,4-thiadiazol-2-amine
| Molecular Formula | C9H8BrN3S2 |
|---|---|
| Molecular Weight | 300.93 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.9343 |
| Heavy Atoms | 15 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 311791-69-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NN=C(S2)N)Br |
| InChIKey | PHQGFBJUOORDSO-UHFFFAOYSA-N |
Product Overview
5-[(2-Bromophenyl)methylthio]-1,3,4-thiadiazole-2-ylamine (CAS 311791-69-2), with molecular formula C9H8BrN3S2 and molecular weight 300.93 g/mol. IUPAC: 5-[(2-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
Chemical Property Profile of 5-[(2-Bromophenyl)methylthio]-1,3,4-thiadiazole-2-ylamine
Property Insights of 5-[(2-Bromophenyl)methylthio]-1,3,4-thiadiazole-2-ylamine
The XLogP value of 3.0 indicates that 5-[(2-Bromophenyl)methylthio]-1,3,4-thiadiazole-2-ylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(2-Bromophenyl)methylthio]-1,3,4-thiadiazole-2-ylamine. Following Lipinski's Rule of Five, 5-[(2-Bromophenyl)methylthio]-1,3,4-thiadiazole-2-ylamine has 1 hydrogen bond donor(s) and 5 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 5-[(2-Bromophenyl)methylthio]-1,3,4-thiadiazole-2-ylamine?
The CAS number of 5-[(2-Bromophenyl)methylthio]-1,3,4-thiadiazole-2-ylamine is 311791-69-2.
What is the molecular formula of 5-[(2-Bromophenyl)methylthio]-1,3,4-thiadiazole-2-ylamine?
The molecular formula of 5-[(2-Bromophenyl)methylthio]-1,3,4-thiadiazole-2-ylamine is C9H8BrN3S2.
What is the molecular weight of 5-[(2-Bromophenyl)methylthio]-1,3,4-thiadiazole-2-ylamine?
The molecular weight of 5-[(2-Bromophenyl)methylthio]-1,3,4-thiadiazole-2-ylamine is 300.93 g/mol.
Where can I buy 5-[(2-Bromophenyl)methylthio]-1,3,4-thiadiazole-2-ylamine?
You can request a quote for 5-[(2-Bromophenyl)methylthio]-1,3,4-thiadiazole-2-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(2-Bromophenyl)methylthio]-1,3,4-thiadiazole-2-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 5-[(2-Bromophenyl)methylthio]-1,3,4-thiadiazole-2-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.