alpha-(Phenylmethylene)-2-thiopheneacetonitrile
TL;DR: alpha-(Phenylmethylene)-2-thiopheneacetonitrile (CAS 37033-97-9) is a chemical compound with molecular formula C13H9NS and molecular weight 211.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-2-thiophen-2-ylprop-2-enenitrile
Also Known As: 3-phenyl-2-thiophen-2-ylprop-2-enenitrile, ALPHA-(PHENYLMETHYLENE)-2-THIOPHENEACETONITRILE, (E)-3-phenyl-2-thiophen-2-ylprop-2-enenitrile, 3-PHENYL-2-(THIOPHEN-2-YL)PROP-2-ENENITRILE
| Molecular Formula | C13H9NS |
|---|---|
| Molecular Weight | 211.05 g/mol |
| LogP | 3.81228 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.04558 |
| Heavy Atoms | 15 |
| Complexity | 489.08716 |
Chemical Identifiers
| CAS Number | 37033-97-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=C(C#N)C2=CC=CS2 |
Product Overview
alpha-(Phenylmethylene)-2-thiopheneacetonitrile (CAS 37033-97-9), with molecular formula C13H9NS and molecular weight 211.05 g/mol. IUPAC: 3-phenyl-2-thiophen-2-ylprop-2-enenitrile.
Chemical Property Profile of alpha-(Phenylmethylene)-2-thiopheneacetonitrile
Property Insights of alpha-(Phenylmethylene)-2-thiopheneacetonitrile
The XLogP value of 3.81228 indicates that alpha-(Phenylmethylene)-2-thiopheneacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, alpha-(Phenylmethylene)-2-thiopheneacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-(Phenylmethylene)-2-thiopheneacetonitrile 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 alpha-(Phenylmethylene)-2-thiopheneacetonitrile?
The CAS number of alpha-(Phenylmethylene)-2-thiopheneacetonitrile is 37033-97-9.
What is the molecular formula of alpha-(Phenylmethylene)-2-thiopheneacetonitrile?
The molecular formula of alpha-(Phenylmethylene)-2-thiopheneacetonitrile is C13H9NS.
What is the molecular weight of alpha-(Phenylmethylene)-2-thiopheneacetonitrile?
The molecular weight of alpha-(Phenylmethylene)-2-thiopheneacetonitrile is 211.05 g/mol.
Where can I buy alpha-(Phenylmethylene)-2-thiopheneacetonitrile?
You can request a quote for alpha-(Phenylmethylene)-2-thiopheneacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-(Phenylmethylene)-2-thiopheneacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for alpha-(Phenylmethylene)-2-thiopheneacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.