2-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one
TL;DR: 2-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one (CAS 876680-31-8) is a chemical compound with molecular formula C9H9N3OS3 and molecular weight 270.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethanone
Also Known As: AB00760154-01, 2-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one
| Molecular Formula | C9H9N3OS3 |
|---|---|
| Molecular Weight | 270.99 g/mol |
| LogP | 2.5631 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.99078 |
| Heavy Atoms | 16 |
| Complexity | 466.0624 |
Chemical Identifiers
| CAS Number | 876680-31-8 |
|---|---|
| SMILES | CSC1=NN=C(S1)SCC(=O)C2=CC=CN2 |
Product Overview
2-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one (CAS 876680-31-8), with molecular formula C9H9N3OS3 and molecular weight 270.99 g/mol. IUPAC: 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethanone.
Chemical Property Profile of 2-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one
Property Insights of 2-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one
The XLogP value of 2.5631 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one. With a topological polar surface area (TPSA) of 58.64 Ų, 2-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one has 1 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 2-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one?
The CAS number of 2-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one is 876680-31-8.
What is the molecular formula of 2-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one?
The molecular formula of 2-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one is C9H9N3OS3.
What is the molecular weight of 2-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one?
The molecular weight of 2-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one is 270.99 g/mol.
Where can I buy 2-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one?
You can request a quote for 2-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.