![3-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole structure](/static/products/851/851911-22-3.png)
3-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole
TL;DR: 3-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole (CAS 851911-22-3) is a chemical compound with molecular formula C12H10F3N5S2 and molecular weight 345.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethyl-4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine
Also Known As: 3-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole, 5,6-dimethyl-4-((4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl)thio)thieno[2,3-d]pyrimidine, 5,6-dimethyl-4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine
| Molecular Formula | C12H10F3N5S2 |
|---|---|
| Molecular Weight | 345.03 g/mol |
| LogP | 3.60664 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.03296 |
| Heavy Atoms | 22 |
| Complexity | 852.42444 |
Chemical Identifiers
| CAS Number | 851911-22-3 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=NC=N2)SC3=NN=C(N3C)C(F)(F)F)C |
Product Overview
3-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole (CAS 851911-22-3), with molecular formula C12H10F3N5S2 and molecular weight 345.03 g/mol. IUPAC: 5,6-dimethyl-4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine.
Chemical Property Profile of 3-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole
Property Insights of 3-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole
The XLogP value of 3.60664 indicates that 3-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, 3-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 6 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-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole?
The CAS number of 3-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole is 851911-22-3.
What is the molecular formula of 3-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole?
The molecular formula of 3-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole is C12H10F3N5S2.
What is the molecular weight of 3-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole?
The molecular weight of 3-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole is 345.03 g/mol.
Where can I buy 3-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole?
You can request a quote for 3-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-4-methyl-5-(trifluoromethyl)-4H-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-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.