2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-fluorophenyl)ethanone
TL;DR: 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-fluorophenyl)ethanone (CAS 613227-63-7) is a chemical compound with molecular formula C17H13FN2OS3 and molecular weight 376.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-fluorophenyl)ethanone
Also Known As: 2-((5-(BENZYLTHIO)-1,3,4-THIADIAZOL-2-YL)THIO)-1-(4-FLUOROPHENYL)ETHANONE, 1-(4-fluorophenyl)-2-[5-(phenylmethylthio)(1,3,4-thiadiazol-2-ylthio)]ethan-1- one, 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-fluorophenyl)ethanone, 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one, 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-1-(4-fluorophenyl)ethanone
| Molecular Formula | C17H13FN2OS3 |
|---|---|
| Molecular Weight | 376.02 g/mol |
| LogP | 4.9445 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.0174 |
| Heavy Atoms | 24 |
| Complexity | 806.21765 |
Chemical Identifiers
| CAS Number | 613227-63-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)C3=CC=C(C=C3)F |
Product Overview
2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-fluorophenyl)ethanone (CAS 613227-63-7), with molecular formula C17H13FN2OS3 and molecular weight 376.02 g/mol. IUPAC: 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-fluorophenyl)ethanone.
Chemical Property Profile of 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-fluorophenyl)ethanone
Property Insights of 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-fluorophenyl)ethanone
The XLogP value of 4.9445 indicates that 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-fluorophenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.85 Ų, 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-fluorophenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-fluorophenyl)ethanone 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 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-fluorophenyl)ethanone?
The CAS number of 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-fluorophenyl)ethanone is 613227-63-7.
What is the molecular formula of 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-fluorophenyl)ethanone?
The molecular formula of 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-fluorophenyl)ethanone is C17H13FN2OS3.
What is the molecular weight of 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-fluorophenyl)ethanone?
The molecular weight of 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-fluorophenyl)ethanone is 376.02 g/mol.
Where can I buy 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-fluorophenyl)ethanone?
You can request a quote for 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-fluorophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-fluorophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-1-(4-fluorophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.