5-(4-Methylbenzyl)-1,3,4-thiadiazol-2-amine
TL;DR: 5-(4-Methylbenzyl)-1,3,4-thiadiazol-2-amine (CAS 39181-45-8) is a chemical compound with molecular formula C10H11N3S and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine
Also Known As: 5-(4-methylbenzyl)-1,3,4-thiadiazol-2-amine, ASISCHEM D51193, 5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine, 5-(p-tolylmethyl)-1,3,4-thiadiazol-2-amine, 2-amino-5-(4-methylbenzyl)-1,3,4-thiadiazole
| Molecular Formula | C10H11N3S |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 2.01952 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.06737 |
| Heavy Atoms | 14 |
| Complexity | 419.18707 |
Chemical Identifiers
| CAS Number | 39181-45-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CC2=NN=C(S2)N |
Product Overview
5-(4-Methylbenzyl)-1,3,4-thiadiazol-2-amine (CAS 39181-45-8), with molecular formula C10H11N3S and molecular weight 205.07 g/mol. IUPAC: 5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine.
Chemical Property Profile of 5-(4-Methylbenzyl)-1,3,4-thiadiazol-2-amine
Property Insights of 5-(4-Methylbenzyl)-1,3,4-thiadiazol-2-amine
The XLogP value of 2.01952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Methylbenzyl)-1,3,4-thiadiazol-2-amine. With a topological polar surface area (TPSA) of 51.8 Ų, 5-(4-Methylbenzyl)-1,3,4-thiadiazol-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Methylbenzyl)-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-(4-Methylbenzyl)-1,3,4-thiadiazol-2-amine?
The CAS number of 5-(4-Methylbenzyl)-1,3,4-thiadiazol-2-amine is 39181-45-8.
What is the molecular formula of 5-(4-Methylbenzyl)-1,3,4-thiadiazol-2-amine?
The molecular formula of 5-(4-Methylbenzyl)-1,3,4-thiadiazol-2-amine is C10H11N3S.
What is the molecular weight of 5-(4-Methylbenzyl)-1,3,4-thiadiazol-2-amine?
The molecular weight of 5-(4-Methylbenzyl)-1,3,4-thiadiazol-2-amine is 205.07 g/mol.
Where can I buy 5-(4-Methylbenzyl)-1,3,4-thiadiazol-2-amine?
You can request a quote for 5-(4-Methylbenzyl)-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-Methylbenzyl)-1,3,4-thiadiazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Methylbenzyl)-1,3,4-thiadiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.