![5-[(2,4-Dimethylbenzyl)thio]-1,3,4-thiadiazol-2-amine structure](/static/products/3025/302566-89-8.webp)
5-[(2,4-Dimethylbenzyl)thio]-1,3,4-thiadiazol-2-amine
TL;DR: 5-[(2,4-Dimethylbenzyl)thio]-1,3,4-thiadiazol-2-amine (CAS 302566-89-8) is a chemical compound with molecular formula C11H13N3S2 and molecular weight 251.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2,4-dimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
Also Known As: TimTec1_000460, 5-[(2,4-dimethylbenzyl)thio]-1,3,4-thiadiazol-2-amine, BAS 04847127, 5-((2,4-Dimethylbenzyl)thio)-1,3,4-thiadiazol-2-amine, 5-[(2,4-dimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
| Molecular Formula | C11H13N3S2 |
|---|---|
| Molecular Weight | 251.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.05508 |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 302566-89-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)CSC2=NN=C(S2)N)C |
| InChIKey | ZRMFFRHXTHQLBG-UHFFFAOYSA-N |
Product Overview
5-[(2,4-Dimethylbenzyl)thio]-1,3,4-thiadiazol-2-amine (CAS 302566-89-8), with molecular formula C11H13N3S2 and molecular weight 251.06 g/mol. IUPAC: 5-[(2,4-dimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
Chemical Property Profile of 5-[(2,4-Dimethylbenzyl)thio]-1,3,4-thiadiazol-2-amine
Property Insights of 5-[(2,4-Dimethylbenzyl)thio]-1,3,4-thiadiazol-2-amine
The XLogP value of 3.1 indicates that 5-[(2,4-Dimethylbenzyl)thio]-1,3,4-thiadiazol-2-amine 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-[(2,4-Dimethylbenzyl)thio]-1,3,4-thiadiazol-2-amine. Following Lipinski's Rule of Five, 5-[(2,4-Dimethylbenzyl)thio]-1,3,4-thiadiazol-2-amine 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-[(2,4-Dimethylbenzyl)thio]-1,3,4-thiadiazol-2-amine?
The CAS number of 5-[(2,4-Dimethylbenzyl)thio]-1,3,4-thiadiazol-2-amine is 302566-89-8.
What is the molecular formula of 5-[(2,4-Dimethylbenzyl)thio]-1,3,4-thiadiazol-2-amine?
The molecular formula of 5-[(2,4-Dimethylbenzyl)thio]-1,3,4-thiadiazol-2-amine is C11H13N3S2.
What is the molecular weight of 5-[(2,4-Dimethylbenzyl)thio]-1,3,4-thiadiazol-2-amine?
The molecular weight of 5-[(2,4-Dimethylbenzyl)thio]-1,3,4-thiadiazol-2-amine is 251.06 g/mol.
Where can I buy 5-[(2,4-Dimethylbenzyl)thio]-1,3,4-thiadiazol-2-amine?
You can request a quote for 5-[(2,4-Dimethylbenzyl)thio]-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-Dimethylbenzyl)thio]-1,3,4-thiadiazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-[(2,4-Dimethylbenzyl)thio]-1,3,4-thiadiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.