2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-(3,5-dimethylphenyl)acetamide
TL;DR: 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-(3,5-dimethylphenyl)acetamide (CAS 476486-08-5) is a chemical compound with molecular formula C19H19N3OS3 and molecular weight 401.07 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]-N-(3,5-dimethylphenyl)acetamide
Also Known As: 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N-(3,5-dimethylphenyl)acetamide, 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide, 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide, N-(3,5-dimethylphenyl)-2-[5-(phenylmethylthio)(1,3,4-thiadiazol-2-ylthio)]acet amide, 647-882-9
| Molecular Formula | C19H19N3OS3 |
|---|---|
| Molecular Weight | 401.07 g/mol |
| LogP | 5.17804 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.06903 |
| Heavy Atoms | 26 |
| Complexity | 860.49567 |
Chemical Identifiers
| CAS Number | 476486-08-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(S2)SCC3=CC=CC=C3)C |
Product Overview
2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-(3,5-dimethylphenyl)acetamide (CAS 476486-08-5), with molecular formula C19H19N3OS3 and molecular weight 401.07 g/mol. IUPAC: 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide.
Chemical Property Profile of 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-(3,5-dimethylphenyl)acetamide
Property Insights of 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-(3,5-dimethylphenyl)acetamide
The XLogP value of 5.17804 indicates that 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-(3,5-dimethylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-(3,5-dimethylphenyl)acetamide 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)-N-(3,5-dimethylphenyl)acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-(3,5-dimethylphenyl)acetamide?
The CAS number of 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-(3,5-dimethylphenyl)acetamide is 476486-08-5.
What is the molecular formula of 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-(3,5-dimethylphenyl)acetamide?
The molecular formula of 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-(3,5-dimethylphenyl)acetamide is C19H19N3OS3.
What is the molecular weight of 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-(3,5-dimethylphenyl)acetamide?
The molecular weight of 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-(3,5-dimethylphenyl)acetamide is 401.07 g/mol.
Where can I buy 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-(3,5-dimethylphenyl)acetamide?
You can request a quote for 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-(3,5-dimethylphenyl)acetamide 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)-N-(3,5-dimethylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-(3,5-dimethylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.