![5-[(4-Tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-amine structure](/static/products/1009/100988-22-5.webp)
5-[(4-Tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
TL;DR: 5-[(4-Tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-amine (CAS 100988-22-5) is a chemical compound with molecular formula C13H17N3OS and molecular weight 263.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
Also Known As: starbld0037085, 5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-amine, BAS 00850943, 5-((4-(tert-Butyl)phenoxy)methyl)-1,3,4-thiadiazol-2-amine, 2-Amino-5-(2-methyl-2-phenethyl)-thiadiazol
| Molecular Formula | C13H17N3OS |
|---|---|
| Molecular Weight | 263.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 89.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.10922 |
| Heavy Atoms | 18 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 100988-22-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(S2)N |
| InChIKey | DDOHHKIXCSPREX-UHFFFAOYSA-N |
Product Overview
5-[(4-Tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-amine (CAS 100988-22-5), with molecular formula C13H17N3OS and molecular weight 263.11 g/mol. IUPAC: 5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-amine.
Chemical Property Profile of 5-[(4-Tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
Property Insights of 5-[(4-Tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
The XLogP value of 3.2 indicates that 5-[(4-Tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(4-Tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-amine. Following Lipinski's Rule of Five, 5-[(4-Tert-butylphenoxy)methyl]-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-[(4-Tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-amine?
The CAS number of 5-[(4-Tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-amine is 100988-22-5.
What is the molecular formula of 5-[(4-Tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-amine?
The molecular formula of 5-[(4-Tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-amine is C13H17N3OS.
What is the molecular weight of 5-[(4-Tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-amine?
The molecular weight of 5-[(4-Tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-amine is 263.11 g/mol.
Where can I buy 5-[(4-Tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-amine?
You can request a quote for 5-[(4-Tert-butylphenoxy)methyl]-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-[(4-Tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-Tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.