2,2'-(2,5-Dichlorothiene-3,4-diyl)diacetonitrile
TL;DR: 2,2'-(2,5-Dichlorothiene-3,4-diyl)diacetonitrile (CAS 35147-98-9) is a chemical compound with molecular formula C8H4Cl2N2S and molecular weight 229.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,5-dichloro-4-(cyanomethyl)thiophen-3-yl]acetonitrile
Also Known As: 2,2'-(2,5-Dichlorothiene-3,4-diyl)diacetonitrile, AP-836/41220160, 2-[2,5-dichloro-4-(cyanomethyl)thiophen-3-yl]acetonitrile, [2,5-dichloro-4-(cyanomethyl)-3-thienyl]acetonitrile, 2,2'-(2,5-Dichlorothiophene-3,4-diyl)diacetonitrile
| Molecular Formula | C8H4Cl2N2S |
|---|---|
| Molecular Weight | 229.95 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 75.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.94722 |
| Heavy Atoms | 13 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 35147-98-9 |
|---|---|
| SMILES | C(C#N)C1=C(SC(=C1CC#N)Cl)Cl |
| InChIKey | XJWDFLPMSMWFHP-UHFFFAOYSA-N |
Product Overview
2,2'-(2,5-Dichlorothiene-3,4-diyl)diacetonitrile (CAS 35147-98-9), with molecular formula C8H4Cl2N2S and molecular weight 229.95 g/mol. IUPAC: 2-[2,5-dichloro-4-(cyanomethyl)thiophen-3-yl]acetonitrile.
Chemical Property Profile of 2,2'-(2,5-Dichlorothiene-3,4-diyl)diacetonitrile
Property Insights of 2,2'-(2,5-Dichlorothiene-3,4-diyl)diacetonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2'-(2,5-Dichlorothiene-3,4-diyl)diacetonitrile. The TPSA of 75.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-(2,5-Dichlorothiene-3,4-diyl)diacetonitrile. Following Lipinski's Rule of Five, 2,2'-(2,5-Dichlorothiene-3,4-diyl)diacetonitrile 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 2,2'-(2,5-Dichlorothiene-3,4-diyl)diacetonitrile?
The CAS number of 2,2'-(2,5-Dichlorothiene-3,4-diyl)diacetonitrile is 35147-98-9.
What is the molecular formula of 2,2'-(2,5-Dichlorothiene-3,4-diyl)diacetonitrile?
The molecular formula of 2,2'-(2,5-Dichlorothiene-3,4-diyl)diacetonitrile is C8H4Cl2N2S.
What is the molecular weight of 2,2'-(2,5-Dichlorothiene-3,4-diyl)diacetonitrile?
The molecular weight of 2,2'-(2,5-Dichlorothiene-3,4-diyl)diacetonitrile is 229.95 g/mol.
Where can I buy 2,2'-(2,5-Dichlorothiene-3,4-diyl)diacetonitrile?
You can request a quote for 2,2'-(2,5-Dichlorothiene-3,4-diyl)diacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-(2,5-Dichlorothiene-3,4-diyl)diacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-(2,5-Dichlorothiene-3,4-diyl)diacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.