4-Fluorobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide
TL;DR: 4-Fluorobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide (CAS 331982-37-7) is a chemical compound with molecular formula C10H9FN2S2 and molecular weight 240.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole
Also Known As: TimTec1_004220, BAS 00729047, SDCCGMLS-0038433.P002, 4-Fluorobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide, 2-((4-Fluorobenzyl)thio)-5-methyl-1,3,4-thiadiazole
| Molecular Formula | C10H9FN2S2 |
|---|---|
| Molecular Weight | 240.02 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.01912 |
| Heavy Atoms | 15 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 331982-37-7 |
|---|---|
| SMILES | CC1=NN=C(S1)SCC2=CC=C(C=C2)F |
| InChIKey | MJJRSYAKOCJHOE-UHFFFAOYSA-N |
Product Overview
4-Fluorobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide (CAS 331982-37-7), with molecular formula C10H9FN2S2 and molecular weight 240.02 g/mol. IUPAC: 2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole.
Chemical Property Profile of 4-Fluorobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide
Property Insights of 4-Fluorobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluorobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Fluorobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide. Following Lipinski's Rule of Five, 4-Fluorobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide has 0 hydrogen bond donor(s) and 5 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 4-Fluorobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide?
The CAS number of 4-Fluorobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide is 331982-37-7.
What is the molecular formula of 4-Fluorobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide?
The molecular formula of 4-Fluorobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide is C10H9FN2S2.
What is the molecular weight of 4-Fluorobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide?
The molecular weight of 4-Fluorobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide is 240.02 g/mol.
Where can I buy 4-Fluorobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide?
You can request a quote for 4-Fluorobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.