2-(Methylsulfonyl)-4-phenylthiophene-3-carbonitrile
TL;DR: 2-(Methylsulfonyl)-4-phenylthiophene-3-carbonitrile (CAS 116526-64-8) is a chemical compound with molecular formula C12H9NO2S2 and molecular weight 263.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfonyl-4-phenylthiophene-3-carbonitrile
Also Known As: Maybridge1_004466, 2-(methylsulfonyl)-4-phenylthiophene-3-carbonitrile, 2-methylsulfonyl-4-phenylthiophene-3-carbonitrile, N-Methyl-N-(N-nitrocarbamimidoyl)acetamide, 3-Thiophenecarbonitrile, 2-(methylsulfonyl)-4-phenyl-
| Molecular Formula | C12H9NO2S2 |
|---|---|
| Molecular Weight | 263.01 g/mol |
| LogP | 2.69028 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.00748 |
| Heavy Atoms | 17 |
| Complexity | 679.04083 |
Chemical Identifiers
| CAS Number | 116526-64-8 |
|---|---|
| SMILES | CS(=O)(=O)C1=C(C(=CS1)C2=CC=CC=C2)C#N |
Product Overview
2-(Methylsulfonyl)-4-phenylthiophene-3-carbonitrile (CAS 116526-64-8), with molecular formula C12H9NO2S2 and molecular weight 263.01 g/mol. IUPAC: 2-methylsulfonyl-4-phenylthiophene-3-carbonitrile.
Chemical Property Profile of 2-(Methylsulfonyl)-4-phenylthiophene-3-carbonitrile
Property Insights of 2-(Methylsulfonyl)-4-phenylthiophene-3-carbonitrile
The XLogP value of 2.69028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylsulfonyl)-4-phenylthiophene-3-carbonitrile. With a topological polar surface area (TPSA) of 57.93 Ų, 2-(Methylsulfonyl)-4-phenylthiophene-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylsulfonyl)-4-phenylthiophene-3-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 2-(Methylsulfonyl)-4-phenylthiophene-3-carbonitrile?
The CAS number of 2-(Methylsulfonyl)-4-phenylthiophene-3-carbonitrile is 116526-64-8.
What is the molecular formula of 2-(Methylsulfonyl)-4-phenylthiophene-3-carbonitrile?
The molecular formula of 2-(Methylsulfonyl)-4-phenylthiophene-3-carbonitrile is C12H9NO2S2.
What is the molecular weight of 2-(Methylsulfonyl)-4-phenylthiophene-3-carbonitrile?
The molecular weight of 2-(Methylsulfonyl)-4-phenylthiophene-3-carbonitrile is 263.01 g/mol.
Where can I buy 2-(Methylsulfonyl)-4-phenylthiophene-3-carbonitrile?
You can request a quote for 2-(Methylsulfonyl)-4-phenylthiophene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylsulfonyl)-4-phenylthiophene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylsulfonyl)-4-phenylthiophene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.