![3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,2,4-triazole structure](/static/products/3433/343374-88-9.webp)
3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,2,4-triazole
TL;DR: 3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,2,4-triazole (CAS 343374-88-9) is a chemical compound with molecular formula C6H6F3N3S and molecular weight 209.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4,4-trifluorobut-3-enylsulfanyl)-1H-1,2,4-triazole
Also Known As: Bionet2_000585, 3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,2,4-triazole, 5-(3,4,4-trifluorobut-3-enylsulfanyl)-1H-1,2,4-triazole, 3-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]-1H-1,2,4-triazole, 5-[(3,4,4-Trifluorobut-3-en-1-yl)sulfanyl]-1H-1,2,4-triazole
| Molecular Formula | C6H6F3N3S |
|---|---|
| Molecular Weight | 209.02 g/mol |
| LogP | 2.3645 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.02345 |
| Heavy Atoms | 13 |
| Complexity | 281.3244 |
Chemical Identifiers
| CAS Number | 343374-88-9 |
|---|---|
| SMILES | C1=NNC(=N1)SCCC(=C(F)F)F |
Product Overview
3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,2,4-triazole (CAS 343374-88-9), with molecular formula C6H6F3N3S and molecular weight 209.02 g/mol. IUPAC: 5-(3,4,4-trifluorobut-3-enylsulfanyl)-1H-1,2,4-triazole.
Chemical Property Profile of 3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,2,4-triazole
Property Insights of 3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,2,4-triazole
The XLogP value of 2.3645 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,2,4-triazole. With a topological polar surface area (TPSA) of 41.57 Ų, 3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,2,4-triazole has 1 hydrogen bond donor(s) and 3 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-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,2,4-triazole?
The CAS number of 3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,2,4-triazole is 343374-88-9.
What is the molecular formula of 3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,2,4-triazole?
The molecular formula of 3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,2,4-triazole is C6H6F3N3S.
What is the molecular weight of 3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,2,4-triazole?
The molecular weight of 3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,2,4-triazole is 209.02 g/mol.
Where can I buy 3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,2,4-triazole?
You can request a quote for 3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.