![5-{[4-(tert-butyl)benzyl]sulfanyl}-N-phenyl-1,3,4-thiadiazol-2-amine structure](/static/products/797/797001-63-9.png)
5-{[4-(tert-butyl)benzyl]sulfanyl}-N-phenyl-1,3,4-thiadiazol-2-amine
TL;DR: 5-{[4-(tert-butyl)benzyl]sulfanyl}-N-phenyl-1,3,4-thiadiazol-2-amine (CAS 797001-63-9) is a chemical compound with molecular formula C19H21N3S2 and molecular weight 355.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-tert-butylphenyl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine
Also Known As: 5-{[4-(tert-butyl)benzyl]sulfanyl}-N-phenyl-1,3,4-thiadiazol-2-amine, 5-[(4-tert-butylphenyl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine, 5-{[(4-tert-butylphenyl)methyl]sulfanyl}-N-phenyl-1,3,4-thiadiazol-2-amine
| Molecular Formula | C19H21N3S2 |
|---|---|
| Molecular Weight | 355.12 g/mol |
| LogP | 5.8715 |
| Topological Polar Surface Area | 37.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.11768 |
| Heavy Atoms | 24 |
| Complexity | 774.3765 |
Chemical Identifiers
| CAS Number | 797001-63-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(S2)NC3=CC=CC=C3 |
Product Overview
5-{[4-(tert-butyl)benzyl]sulfanyl}-N-phenyl-1,3,4-thiadiazol-2-amine (CAS 797001-63-9), with molecular formula C19H21N3S2 and molecular weight 355.12 g/mol. IUPAC: 5-[(4-tert-butylphenyl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine.
Chemical Property Profile of 5-{[4-(tert-butyl)benzyl]sulfanyl}-N-phenyl-1,3,4-thiadiazol-2-amine
Property Insights of 5-{[4-(tert-butyl)benzyl]sulfanyl}-N-phenyl-1,3,4-thiadiazol-2-amine
The XLogP value of 5.8715 indicates that 5-{[4-(tert-butyl)benzyl]sulfanyl}-N-phenyl-1,3,4-thiadiazol-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.81 Ų, 5-{[4-(tert-butyl)benzyl]sulfanyl}-N-phenyl-1,3,4-thiadiazol-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-{[4-(tert-butyl)benzyl]sulfanyl}-N-phenyl-1,3,4-thiadiazol-2-amine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-{[4-(tert-butyl)benzyl]sulfanyl}-N-phenyl-1,3,4-thiadiazol-2-amine?
The CAS number of 5-{[4-(tert-butyl)benzyl]sulfanyl}-N-phenyl-1,3,4-thiadiazol-2-amine is 797001-63-9.
What is the molecular formula of 5-{[4-(tert-butyl)benzyl]sulfanyl}-N-phenyl-1,3,4-thiadiazol-2-amine?
The molecular formula of 5-{[4-(tert-butyl)benzyl]sulfanyl}-N-phenyl-1,3,4-thiadiazol-2-amine is C19H21N3S2.
What is the molecular weight of 5-{[4-(tert-butyl)benzyl]sulfanyl}-N-phenyl-1,3,4-thiadiazol-2-amine?
The molecular weight of 5-{[4-(tert-butyl)benzyl]sulfanyl}-N-phenyl-1,3,4-thiadiazol-2-amine is 355.12 g/mol.
Where can I buy 5-{[4-(tert-butyl)benzyl]sulfanyl}-N-phenyl-1,3,4-thiadiazol-2-amine?
You can request a quote for 5-{[4-(tert-butyl)benzyl]sulfanyl}-N-phenyl-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-butyl)benzyl]sulfanyl}-N-phenyl-1,3,4-thiadiazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-{[4-(tert-butyl)benzyl]sulfanyl}-N-phenyl-1,3,4-thiadiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.