1-((5-((4-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-3,3-dimethyl-2-butanone
TL;DR: 1-((5-((4-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-3,3-dimethyl-2-butanone (CAS 477333-53-2) is a chemical compound with molecular formula C15H17FN2OS3 and molecular weight 356.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one
Also Known As: 1-((5-((4-FLUOROBENZYL)THIO)-1,3,4-THIADIAZOL-2-YL)THIO)-3,3-DIMETHYL-2-BUTANONE, 1-((5-((4-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-3,3-dimethylbutan-2-one, 1-[[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one, 1-({5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-3,3-dimethylbutan-2-one, 1-({5-[(4-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl}thio)-3,3-dimethyl-2-butanone
| Molecular Formula | C15H17FN2OS3 |
|---|---|
| Molecular Weight | 356.05 g/mol |
| LogP | 4.6768 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.0487 |
| Heavy Atoms | 22 |
| Complexity | 634.9823 |
Chemical Identifiers
| CAS Number | 477333-53-2 |
|---|---|
| SMILES | CC(C)(C)C(=O)CSC1=NN=C(S1)SCC2=CC=C(C=C2)F |
Product Overview
1-((5-((4-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-3,3-dimethyl-2-butanone (CAS 477333-53-2), with molecular formula C15H17FN2OS3 and molecular weight 356.05 g/mol. IUPAC: 1-[[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one.
Chemical Property Profile of 1-((5-((4-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-3,3-dimethyl-2-butanone
Property Insights of 1-((5-((4-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-3,3-dimethyl-2-butanone
The XLogP value of 4.6768 indicates that 1-((5-((4-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-3,3-dimethyl-2-butanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.85 Ų, 1-((5-((4-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-3,3-dimethyl-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((5-((4-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-3,3-dimethyl-2-butanone 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 1-((5-((4-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-3,3-dimethyl-2-butanone?
The CAS number of 1-((5-((4-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-3,3-dimethyl-2-butanone is 477333-53-2.
What is the molecular formula of 1-((5-((4-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-3,3-dimethyl-2-butanone?
The molecular formula of 1-((5-((4-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-3,3-dimethyl-2-butanone is C15H17FN2OS3.
What is the molecular weight of 1-((5-((4-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-3,3-dimethyl-2-butanone?
The molecular weight of 1-((5-((4-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-3,3-dimethyl-2-butanone is 356.05 g/mol.
Where can I buy 1-((5-((4-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-3,3-dimethyl-2-butanone?
You can request a quote for 1-((5-((4-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-3,3-dimethyl-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((5-((4-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-3,3-dimethyl-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 1-((5-((4-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)-3,3-dimethyl-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.