![5-[[[3-(Trifluoromethyl)phenyl]methyl]thio]-1,3,4-thiadiazole-2(3H)-thione structure](/static/products/1752/175277-94-8.webp)
5-[[[3-(Trifluoromethyl)phenyl]methyl]thio]-1,3,4-thiadiazole-2(3H)-thione
TL;DR: 5-[[[3-(Trifluoromethyl)phenyl]methyl]thio]-1,3,4-thiadiazole-2(3H)-thione (CAS 175277-94-8) is a chemical compound with molecular formula C10H7F3N2S3 and molecular weight 307.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
Also Known As: Maybridge1_000143, MixCom1_000275, 5-((3-(Trifluoromethyl)benzyl)thio)-1,3,4-thiadiazole-2-thiol, 5-[3-(trifluoromethyl)benzylthio]-1,3,4-thiadiazole-2-thiol, 5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
| Molecular Formula | C10H7F3N2S3 |
|---|---|
| Molecular Weight | 307.97 g/mol |
| LogP | 4.51179 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.97235 |
| Heavy Atoms | 18 |
| Complexity | 588.2941 |
Chemical Identifiers
| CAS Number | 175277-94-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CSC2=NNC(=S)S2 |
Product Overview
5-[[[3-(Trifluoromethyl)phenyl]methyl]thio]-1,3,4-thiadiazole-2(3H)-thione (CAS 175277-94-8), with molecular formula C10H7F3N2S3 and molecular weight 307.97 g/mol. IUPAC: 5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 5-[[[3-(Trifluoromethyl)phenyl]methyl]thio]-1,3,4-thiadiazole-2(3H)-thione
Property Insights of 5-[[[3-(Trifluoromethyl)phenyl]methyl]thio]-1,3,4-thiadiazole-2(3H)-thione
The XLogP value of 4.51179 indicates that 5-[[[3-(Trifluoromethyl)phenyl]methyl]thio]-1,3,4-thiadiazole-2(3H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, 5-[[[3-(Trifluoromethyl)phenyl]methyl]thio]-1,3,4-thiadiazole-2(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[[[3-(Trifluoromethyl)phenyl]methyl]thio]-1,3,4-thiadiazole-2(3H)-thione 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 5-[[[3-(Trifluoromethyl)phenyl]methyl]thio]-1,3,4-thiadiazole-2(3H)-thione?
The CAS number of 5-[[[3-(Trifluoromethyl)phenyl]methyl]thio]-1,3,4-thiadiazole-2(3H)-thione is 175277-94-8.
What is the molecular formula of 5-[[[3-(Trifluoromethyl)phenyl]methyl]thio]-1,3,4-thiadiazole-2(3H)-thione?
The molecular formula of 5-[[[3-(Trifluoromethyl)phenyl]methyl]thio]-1,3,4-thiadiazole-2(3H)-thione is C10H7F3N2S3.
What is the molecular weight of 5-[[[3-(Trifluoromethyl)phenyl]methyl]thio]-1,3,4-thiadiazole-2(3H)-thione?
The molecular weight of 5-[[[3-(Trifluoromethyl)phenyl]methyl]thio]-1,3,4-thiadiazole-2(3H)-thione is 307.97 g/mol.
Where can I buy 5-[[[3-(Trifluoromethyl)phenyl]methyl]thio]-1,3,4-thiadiazole-2(3H)-thione?
You can request a quote for 5-[[[3-(Trifluoromethyl)phenyl]methyl]thio]-1,3,4-thiadiazole-2(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[[[3-(Trifluoromethyl)phenyl]methyl]thio]-1,3,4-thiadiazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-[[[3-(Trifluoromethyl)phenyl]methyl]thio]-1,3,4-thiadiazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.