2,5-Dimethylthiophene-3,4-dicarbonitrile
TL;DR: 2,5-Dimethylthiophene-3,4-dicarbonitrile (CAS 287096-97-3) is a chemical compound with molecular formula C8H6N2S and molecular weight 162.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethylthiophene-3,4-dicarbonitrile
Also Known As: Dimethylthiophene-3,4-dicarbonitrile, 2,5-Dimethylthiophene-3,4-dicarbonitrile, J1.917.213I
| Molecular Formula | C8H6N2S |
|---|---|
| Molecular Weight | 162.03 g/mol |
| LogP | 2.1083 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.02516 |
| Heavy Atoms | 11 |
| Complexity | 328.16937 |
Chemical Identifiers
| CAS Number | 287096-97-3 |
|---|---|
| SMILES | CC1=C(C(=C(S1)C)C#N)C#N |
Product Overview
2,5-Dimethylthiophene-3,4-dicarbonitrile (CAS 287096-97-3), with molecular formula C8H6N2S and molecular weight 162.03 g/mol. IUPAC: 2,5-dimethylthiophene-3,4-dicarbonitrile.
Chemical Property Profile of 2,5-Dimethylthiophene-3,4-dicarbonitrile
Property Insights of 2,5-Dimethylthiophene-3,4-dicarbonitrile
The XLogP value of 2.1083 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethylthiophene-3,4-dicarbonitrile. With a topological polar surface area (TPSA) of 47.58 Ų, 2,5-Dimethylthiophene-3,4-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethylthiophene-3,4-dicarbonitrile has 0 hydrogen bond donor(s) and 3 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-Dimethylthiophene-3,4-dicarbonitrile?
The CAS number of 2,5-Dimethylthiophene-3,4-dicarbonitrile is 287096-97-3.
What is the molecular formula of 2,5-Dimethylthiophene-3,4-dicarbonitrile?
The molecular formula of 2,5-Dimethylthiophene-3,4-dicarbonitrile is C8H6N2S.
What is the molecular weight of 2,5-Dimethylthiophene-3,4-dicarbonitrile?
The molecular weight of 2,5-Dimethylthiophene-3,4-dicarbonitrile is 162.03 g/mol.
Where can I buy 2,5-Dimethylthiophene-3,4-dicarbonitrile?
You can request a quote for 2,5-Dimethylthiophene-3,4-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethylthiophene-3,4-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethylthiophene-3,4-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.