3-Hydroxy-4-methylthiophene-2,5-dicarbonitrile
TL;DR: 3-Hydroxy-4-methylthiophene-2,5-dicarbonitrile (CAS 70542-00-6) is a chemical compound with molecular formula C7H4N2OS and molecular weight 164.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-4-methylthiophene-2,5-dicarbonitrile
Also Known As: Maybridge1_003172, 3-hydroxy-4-methylthiophene-2,5-dicarbonitrile, 2,5-Thiophenedicarbonitrile, 3-hydroxy-4-methyl-
| Molecular Formula | C7H4N2OS |
|---|---|
| Molecular Weight | 164.00 g/mol |
| LogP | 1.50548 |
| Topological Polar Surface Area | 67.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.00444 |
| Heavy Atoms | 11 |
| Complexity | 332.51788 |
Chemical Identifiers
| CAS Number | 70542-00-6 |
|---|---|
| SMILES | CC1=C(SC(=C1O)C#N)C#N |
Product Overview
3-Hydroxy-4-methylthiophene-2,5-dicarbonitrile (CAS 70542-00-6), with molecular formula C7H4N2OS and molecular weight 164.00 g/mol. IUPAC: 3-hydroxy-4-methylthiophene-2,5-dicarbonitrile.
Chemical Property Profile of 3-Hydroxy-4-methylthiophene-2,5-dicarbonitrile
Property Insights of 3-Hydroxy-4-methylthiophene-2,5-dicarbonitrile
The XLogP value of 1.50548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-4-methylthiophene-2,5-dicarbonitrile. The TPSA of 67.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-4-methylthiophene-2,5-dicarbonitrile. Following Lipinski's Rule of Five, 3-Hydroxy-4-methylthiophene-2,5-dicarbonitrile has 1 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 3-Hydroxy-4-methylthiophene-2,5-dicarbonitrile?
The CAS number of 3-Hydroxy-4-methylthiophene-2,5-dicarbonitrile is 70542-00-6.
What is the molecular formula of 3-Hydroxy-4-methylthiophene-2,5-dicarbonitrile?
The molecular formula of 3-Hydroxy-4-methylthiophene-2,5-dicarbonitrile is C7H4N2OS.
What is the molecular weight of 3-Hydroxy-4-methylthiophene-2,5-dicarbonitrile?
The molecular weight of 3-Hydroxy-4-methylthiophene-2,5-dicarbonitrile is 164.00 g/mol.
Where can I buy 3-Hydroxy-4-methylthiophene-2,5-dicarbonitrile?
You can request a quote for 3-Hydroxy-4-methylthiophene-2,5-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-4-methylthiophene-2,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-4-methylthiophene-2,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.