2-(3,5-Dimethylthiophen-2-yl)acetonitrile
TL;DR: 2-(3,5-Dimethylthiophen-2-yl)acetonitrile (CAS 6947-68-8) is a chemical compound with molecular formula C8H9NS and molecular weight 151.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dimethylthiophen-2-yl)acetonitrile
Also Known As: 2-(3,5-dimethylthiophen-2-yl)acetonitrile, (3,5-dimethylthiophen-2-yl)acetonitrile, 3,5-dimethylthiopheneacetonitrile, KST-1A7618, 2-Thiopheneacetonitrile,3,5-dimethyl-
| Molecular Formula | C8H9NS |
|---|---|
| Molecular Weight | 151.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.04558 |
| Heavy Atoms | 10 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 6947-68-8 |
|---|---|
| SMILES | CC1=CC(=C(S1)CC#N)C |
| InChIKey | PSFRTUWUXSRDOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3,5-Dimethylthiophen-2-yl)acetonitrile (CAS 6947-68-8), with molecular formula C8H9NS and molecular weight 151.05 g/mol. IUPAC: 2-(3,5-dimethylthiophen-2-yl)acetonitrile.
Chemical Property Profile of 2-(3,5-Dimethylthiophen-2-yl)acetonitrile
Property Insights of 2-(3,5-Dimethylthiophen-2-yl)acetonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,5-Dimethylthiophen-2-yl)acetonitrile. With a topological polar surface area (TPSA) of 52.0 Ų, 2-(3,5-Dimethylthiophen-2-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,5-Dimethylthiophen-2-yl)acetonitrile has 0 hydrogen bond donor(s) and 2 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-(3,5-Dimethylthiophen-2-yl)acetonitrile?
The CAS number of 2-(3,5-Dimethylthiophen-2-yl)acetonitrile is 6947-68-8.
What is the molecular formula of 2-(3,5-Dimethylthiophen-2-yl)acetonitrile?
The molecular formula of 2-(3,5-Dimethylthiophen-2-yl)acetonitrile is C8H9NS.
What is the molecular weight of 2-(3,5-Dimethylthiophen-2-yl)acetonitrile?
The molecular weight of 2-(3,5-Dimethylthiophen-2-yl)acetonitrile is 151.05 g/mol.
Where can I buy 2-(3,5-Dimethylthiophen-2-yl)acetonitrile?
You can request a quote for 2-(3,5-Dimethylthiophen-2-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,5-Dimethylthiophen-2-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-Dimethylthiophen-2-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.