![1-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one structure](/static/products/4991/499103-53-6.webp)
1-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one
TL;DR: 1-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one (CAS 499103-53-6) is a chemical compound with molecular formula C16H20N2O2S3 and molecular weight 368.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one
Also Known As: 1-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one, 1-((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-3,3-dimethylbutan-2-one, 1-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-3,3-dimethylbutan-2-one
| Molecular Formula | C16H20N2O2S3 |
|---|---|
| Molecular Weight | 368.07 g/mol |
| LogP | 4.5463 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 368.0687 |
| Heavy Atoms | 23 |
| Complexity | 648.0901 |
Chemical Identifiers
| CAS Number | 499103-53-6 |
|---|---|
| SMILES | CC(C)(C)C(=O)CSC1=NN=C(S1)SCC2=CC=C(C=C2)OC |
Product Overview
1-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one (CAS 499103-53-6), with molecular formula C16H20N2O2S3 and molecular weight 368.07 g/mol. IUPAC: 1-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one.
Chemical Property Profile of 1-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one
Property Insights of 1-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one
The XLogP value of 4.5463 indicates that 1-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, 1-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one has 0 hydrogen bond donor(s) and 7 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-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one?
The CAS number of 1-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one is 499103-53-6.
What is the molecular formula of 1-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one?
The molecular formula of 1-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one is C16H20N2O2S3.
What is the molecular weight of 1-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one?
The molecular weight of 1-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one is 368.07 g/mol.
Where can I buy 1-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one?
You can request a quote for 1-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one 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-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.