2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-mesitylacetamide
TL;DR: 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-mesitylacetamide (CAS 477331-60-5) is a chemical compound with molecular formula C20H21N3OS3 and molecular weight 415.08 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-(2,4,6-trimethylphenyl)acetamide
Also Known As: 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N-mesitylacetamide, 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide, 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide, 2-{[5-(benzylthio)-1,3,4-thiadiazol-2-yl]thio}-N-mesitylacetamide, 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-mesitylacetamide
| Molecular Formula | C20H21N3OS3 |
|---|---|
| Molecular Weight | 415.08 g/mol |
| LogP | 5.48646 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.0847 |
| Heavy Atoms | 27 |
| Complexity | 902.2263 |
Chemical Identifiers
| CAS Number | 477331-60-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NN=C(S2)SCC3=CC=CC=C3)C |
Product Overview
2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-mesitylacetamide (CAS 477331-60-5), with molecular formula C20H21N3OS3 and molecular weight 415.08 g/mol. IUPAC: 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.
Chemical Property Profile of 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-mesitylacetamide
Property Insights of 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-mesitylacetamide
The XLogP value of 5.48646 indicates that 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-mesitylacetamide 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-mesitylacetamide 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-mesitylacetamide 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-mesitylacetamide?
The CAS number of 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-mesitylacetamide is 477331-60-5.
What is the molecular formula of 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-mesitylacetamide?
The molecular formula of 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-mesitylacetamide is C20H21N3OS3.
What is the molecular weight of 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-mesitylacetamide?
The molecular weight of 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-mesitylacetamide is 415.08 g/mol.
Where can I buy 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-mesitylacetamide?
You can request a quote for 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-mesitylacetamide 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-mesitylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-mesitylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.