![7-methyl-2-[4-(trifluoromethyl)phenyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-thione structure](/static/products/866/866142-89-4.png)
7-methyl-2-[4-(trifluoromethyl)phenyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-thione
TL;DR: 7-methyl-2-[4-(trifluoromethyl)phenyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-thione (CAS 866142-89-4) is a chemical compound with molecular formula C13H8F3N3S2 and molecular weight 327.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-2-[4-(trifluoromethyl)phenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-thione
Also Known As: 7-methyl-2-[4-(trifluoromethyl)phenyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-thione, 8X-0955, 7-methyl-2-[4-(trifluoromethyl)phenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-thione, 4-methyl-8-[4-(trifluoromethyl)phenyl]-7-thia-1,5,9-triazabicyclo[4.3.0]nona-3,5,8-triene-2-thione
| Molecular Formula | C13H8F3N3S2 |
|---|---|
| Molecular Weight | 327.01 g/mol |
| LogP | 4.51451 |
| Topological Polar Surface Area | 30.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 327.01117 |
| Heavy Atoms | 21 |
| Complexity | 862.98425 |
Chemical Identifiers
| CAS Number | 866142-89-4 |
|---|---|
| SMILES | CC1=CC(=S)N2C(=N1)SC(=N2)C3=CC=C(C=C3)C(F)(F)F |
Product Overview
7-methyl-2-[4-(trifluoromethyl)phenyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-thione (CAS 866142-89-4), with molecular formula C13H8F3N3S2 and molecular weight 327.01 g/mol. IUPAC: 7-methyl-2-[4-(trifluoromethyl)phenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-thione.
Chemical Property Profile of 7-methyl-2-[4-(trifluoromethyl)phenyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-thione
Property Insights of 7-methyl-2-[4-(trifluoromethyl)phenyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-thione
The XLogP value of 4.51451 indicates that 7-methyl-2-[4-(trifluoromethyl)phenyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.19 Ų, 7-methyl-2-[4-(trifluoromethyl)phenyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-methyl-2-[4-(trifluoromethyl)phenyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-thione has 0 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 7-methyl-2-[4-(trifluoromethyl)phenyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-thione?
The CAS number of 7-methyl-2-[4-(trifluoromethyl)phenyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-thione is 866142-89-4.
What is the molecular formula of 7-methyl-2-[4-(trifluoromethyl)phenyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-thione?
The molecular formula of 7-methyl-2-[4-(trifluoromethyl)phenyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-thione is C13H8F3N3S2.
What is the molecular weight of 7-methyl-2-[4-(trifluoromethyl)phenyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-thione?
The molecular weight of 7-methyl-2-[4-(trifluoromethyl)phenyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-thione is 327.01 g/mol.
Where can I buy 7-methyl-2-[4-(trifluoromethyl)phenyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-thione?
You can request a quote for 7-methyl-2-[4-(trifluoromethyl)phenyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-methyl-2-[4-(trifluoromethyl)phenyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 7-methyl-2-[4-(trifluoromethyl)phenyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.