![3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine structure](/static/products/6913/691391-23-8.webp)
3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine
TL;DR: 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine (CAS 691391-23-8) is a chemical compound with molecular formula C10H7Cl2F3N4S and molecular weight 341.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine
Also Known As: 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine, 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine, 3-((3,4-Dichlorobenzyl)thio)-5-(trifluoromethyl)-4h-1,2,4-triazol-4-amine, 3-{[(3,4-DICHLOROPHENYL)METHYL]SULFANYL}-5-(TRIFLUOROMETHYL)-1,2,4-TRIAZOL-4-AMINE, 3-[(3,4-dichlorobenzyl)thio]-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine
| Molecular Formula | C10H7Cl2F3N4S |
|---|---|
| Molecular Weight | 341.97 g/mol |
| LogP | 3.6098 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.97205 |
| Heavy Atoms | 20 |
| Complexity | 629.4506 |
Chemical Identifiers
| CAS Number | 691391-23-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1CSC2=NN=C(N2N)C(F)(F)F)Cl)Cl |
Product Overview
3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine (CAS 691391-23-8), with molecular formula C10H7Cl2F3N4S and molecular weight 341.97 g/mol. IUPAC: 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine
Property Insights of 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine
The XLogP value of 3.6098 indicates that 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.73 Ų, 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(trifluoromethyl)-4H-1,2,4-triazol-4-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 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine?
The CAS number of 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine is 691391-23-8.
What is the molecular formula of 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine is C10H7Cl2F3N4S.
What is the molecular weight of 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine is 341.97 g/mol.
Where can I buy 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.