2-(Thiophen-2-ylmethyl)propanedinitrile
TL;DR: 2-(Thiophen-2-ylmethyl)propanedinitrile (CAS 5553-91-3) 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-(thiophen-2-ylmethyl)propanedinitrile
Also Known As: 2-(2-Thienylmethyl)propanedinitrile, 2-(thiophen-2-ylmethyl)propanedinitrile, [(Thiophen-2-yl)methyl]propanedinitrile, 2-[(thiophen-2-yl)methyl]propanedinitrile, J3.314.557H
| Molecular Formula | C8H6N2S |
|---|---|
| Molecular Weight | 162.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 75.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.02516 |
| Heavy Atoms | 11 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 5553-91-3 |
|---|---|
| SMILES | C1=CSC(=C1)CC(C#N)C#N |
| InChIKey | WUMYBKBHTJXKPV-UHFFFAOYSA-N |
Product Overview
2-(Thiophen-2-ylmethyl)propanedinitrile (CAS 5553-91-3), with molecular formula C8H6N2S and molecular weight 162.03 g/mol. IUPAC: 2-(thiophen-2-ylmethyl)propanedinitrile.
Chemical Property Profile of 2-(Thiophen-2-ylmethyl)propanedinitrile
Property Insights of 2-(Thiophen-2-ylmethyl)propanedinitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Thiophen-2-ylmethyl)propanedinitrile. The TPSA of 75.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Thiophen-2-ylmethyl)propanedinitrile. Following Lipinski's Rule of Five, 2-(Thiophen-2-ylmethyl)propanedinitrile 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-(Thiophen-2-ylmethyl)propanedinitrile?
The CAS number of 2-(Thiophen-2-ylmethyl)propanedinitrile is 5553-91-3.
What is the molecular formula of 2-(Thiophen-2-ylmethyl)propanedinitrile?
The molecular formula of 2-(Thiophen-2-ylmethyl)propanedinitrile is C8H6N2S.
What is the molecular weight of 2-(Thiophen-2-ylmethyl)propanedinitrile?
The molecular weight of 2-(Thiophen-2-ylmethyl)propanedinitrile is 162.03 g/mol.
Where can I buy 2-(Thiophen-2-ylmethyl)propanedinitrile?
You can request a quote for 2-(Thiophen-2-ylmethyl)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Thiophen-2-ylmethyl)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Thiophen-2-ylmethyl)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.