5-(2,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-amine
TL;DR: 5-(2,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-amine (CAS 39181-52-7) is a chemical compound with molecular formula C9H7Cl2N3S and molecular weight 258.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-amine
Also Known As: 5-(2,4-dichlorobenzyl)-1,3,4-thiadiazol-2-amine, 5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-amine, CHEMBRDG-BB 5317274, 2-Amino-5-(3-chlorbenzyl)thiadiazol, 5-(2,4-Dichloro-benzyl)-[1,3,4]thiadiazol-2-ylamine
| Molecular Formula | C9H7Cl2N3S |
|---|---|
| Molecular Weight | 258.97 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.9738 |
| Heavy Atoms | 15 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 39181-52-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)CC2=NN=C(S2)N |
| InChIKey | VWFJPGHKRXMPGJ-UHFFFAOYSA-N |
Product Overview
5-(2,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-amine (CAS 39181-52-7), with molecular formula C9H7Cl2N3S and molecular weight 258.97 g/mol. IUPAC: 5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-amine.
Chemical Property Profile of 5-(2,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-amine
Property Insights of 5-(2,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-amine
The XLogP value of 3.2 indicates that 5-(2,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-amine. Following Lipinski's Rule of Five, 5-(2,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-amine has 1 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 5-(2,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-amine?
The CAS number of 5-(2,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-amine is 39181-52-7.
What is the molecular formula of 5-(2,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-amine?
The molecular formula of 5-(2,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-amine is C9H7Cl2N3S.
What is the molecular weight of 5-(2,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-amine?
The molecular weight of 5-(2,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-amine is 258.97 g/mol.
Where can I buy 5-(2,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-amine?
You can request a quote for 5-(2,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-(2,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.