4-Acetyl-3-methyl-5-(methylthio)thiophene-2-carbonitrile
TL;DR: 4-Acetyl-3-methyl-5-(methylthio)thiophene-2-carbonitrile (CAS 175202-62-7) is a chemical compound with molecular formula C9H9NOS2 and molecular weight 211.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyl-3-methyl-5-methylsulfanylthiophene-2-carbonitrile
Also Known As: Maybridge1_004526, 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carbonitrile, 4-acetyl-3-methyl-5-methylsulfanylthiophene-2-carbonitrile, 2-Thiophenecarbonitrile, 4-acetyl-3-methyl-5-(methylthio)-, 4-Acetyl-3-methyl-5-methylsulfanyl-thiophene-2-carbonitrile
| Molecular Formula | C9H9NOS2 |
|---|---|
| Molecular Weight | 211.01 g/mol |
| LogP | 2.8527 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.01256 |
| Heavy Atoms | 13 |
| Complexity | 387.05435 |
Chemical Identifiers
| CAS Number | 175202-62-7 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)C)SC)C#N |
Product Overview
4-Acetyl-3-methyl-5-(methylthio)thiophene-2-carbonitrile (CAS 175202-62-7), with molecular formula C9H9NOS2 and molecular weight 211.01 g/mol. IUPAC: 4-acetyl-3-methyl-5-methylsulfanylthiophene-2-carbonitrile.
Chemical Property Profile of 4-Acetyl-3-methyl-5-(methylthio)thiophene-2-carbonitrile
Property Insights of 4-Acetyl-3-methyl-5-(methylthio)thiophene-2-carbonitrile
The XLogP value of 2.8527 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetyl-3-methyl-5-(methylthio)thiophene-2-carbonitrile. With a topological polar surface area (TPSA) of 40.86 Ų, 4-Acetyl-3-methyl-5-(methylthio)thiophene-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Acetyl-3-methyl-5-(methylthio)thiophene-2-carbonitrile has 0 hydrogen bond donor(s) and 4 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-Acetyl-3-methyl-5-(methylthio)thiophene-2-carbonitrile?
The CAS number of 4-Acetyl-3-methyl-5-(methylthio)thiophene-2-carbonitrile is 175202-62-7.
What is the molecular formula of 4-Acetyl-3-methyl-5-(methylthio)thiophene-2-carbonitrile?
The molecular formula of 4-Acetyl-3-methyl-5-(methylthio)thiophene-2-carbonitrile is C9H9NOS2.
What is the molecular weight of 4-Acetyl-3-methyl-5-(methylthio)thiophene-2-carbonitrile?
The molecular weight of 4-Acetyl-3-methyl-5-(methylthio)thiophene-2-carbonitrile is 211.01 g/mol.
Where can I buy 4-Acetyl-3-methyl-5-(methylthio)thiophene-2-carbonitrile?
You can request a quote for 4-Acetyl-3-methyl-5-(methylthio)thiophene-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetyl-3-methyl-5-(methylthio)thiophene-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetyl-3-methyl-5-(methylthio)thiophene-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.