Anilino(thiophen-2-yl)acetonitrile
TL;DR: Anilino(thiophen-2-yl)acetonitrile (CAS 85603-45-8) is a chemical compound with molecular formula C12H10N2S and molecular weight 214.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-anilino-2-thiophen-2-ylacetonitrile
Also Known As: Phenylamino(thien-2-yl)acetonitrile, PHENYLAMINO-THIOPHEN-2-YL-ACETONITRILE, 2-anilino-2-thiophen-2-ylacetonitrile, 2-(phenylamino)-2-(thiophen-2-yl)acetonitrile, (2-Thienyl)anilinoacetonitrile
| Molecular Formula | C12H10N2S |
|---|---|
| Molecular Weight | 214.06 g/mol |
| LogP | 3.42488 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.05647 |
| Heavy Atoms | 15 |
| Complexity | 442.22928 |
Chemical Identifiers
| CAS Number | 85603-45-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(C#N)C2=CC=CS2 |
Product Overview
Anilino(thiophen-2-yl)acetonitrile (CAS 85603-45-8), with molecular formula C12H10N2S and molecular weight 214.06 g/mol. IUPAC: 2-anilino-2-thiophen-2-ylacetonitrile.
Chemical Property Profile of Anilino(thiophen-2-yl)acetonitrile
Property Insights of Anilino(thiophen-2-yl)acetonitrile
The XLogP value of 3.42488 indicates that Anilino(thiophen-2-yl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.82 Ų, Anilino(thiophen-2-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Anilino(thiophen-2-yl)acetonitrile has 1 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 Anilino(thiophen-2-yl)acetonitrile?
The CAS number of Anilino(thiophen-2-yl)acetonitrile is 85603-45-8.
What is the molecular formula of Anilino(thiophen-2-yl)acetonitrile?
The molecular formula of Anilino(thiophen-2-yl)acetonitrile is C12H10N2S.
What is the molecular weight of Anilino(thiophen-2-yl)acetonitrile?
The molecular weight of Anilino(thiophen-2-yl)acetonitrile is 214.06 g/mol.
Where can I buy Anilino(thiophen-2-yl)acetonitrile?
You can request a quote for Anilino(thiophen-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 Anilino(thiophen-2-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Anilino(thiophen-2-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.