![2-[[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile structure](/static/products/828/828275-62-3.png)
2-[[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile
TL;DR: 2-[[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile (CAS 828275-62-3) is a chemical compound with molecular formula C12H13BrN4S2 and molecular weight 355.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile
Also Known As: 2-[[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile, {[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile, 2-[[5-(4-bromo-5-ethyl-thiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile, {[5-(4-BROMO-5-ETHYL-2-THIENYL)-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}METHYL CYANIDE
| Molecular Formula | C12H13BrN4S2 |
|---|---|
| Molecular Weight | 355.98 g/mol |
| LogP | 3.96708 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.9765 |
| Heavy Atoms | 19 |
| Complexity | 611.76337 |
Chemical Identifiers
| CAS Number | 828275-62-3 |
|---|---|
| SMILES | CCC1=C(C=C(S1)C2=NN=C(N2CC)SCC#N)Br |
Product Overview
2-[[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile (CAS 828275-62-3), with molecular formula C12H13BrN4S2 and molecular weight 355.98 g/mol. IUPAC: 2-[[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile.
Chemical Property Profile of 2-[[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile
Property Insights of 2-[[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile
The XLogP value of 3.96708 indicates that 2-[[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, 2-[[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile has 0 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 2-[[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile?
The CAS number of 2-[[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile is 828275-62-3.
What is the molecular formula of 2-[[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile?
The molecular formula of 2-[[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile is C12H13BrN4S2.
What is the molecular weight of 2-[[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile?
The molecular weight of 2-[[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile is 355.98 g/mol.
Where can I buy 2-[[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile?
You can request a quote for 2-[[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.