2-(2,2-Dichlorovinyl)-5-nitrothiophene
TL;DR: 2-(2,2-Dichlorovinyl)-5-nitrothiophene (CAS 77386-44-8) is a chemical compound with molecular formula C6H3Cl2NO2S and molecular weight 222.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-dichloroethenyl)-5-nitrothiophene
Also Known As: 2-(2,2-dichlorovinyl)-5-nitrothiophene, 2-(2,2-dichloroethenyl)-5-nitrothiophene, BAS 06900214, 2-(2,2-Dichloro-vinyl)-5-nitro-thiophene
| Molecular Formula | C6H3Cl2NO2S |
|---|---|
| Molecular Weight | 222.93 g/mol |
| LogP | 3.4323 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.92615 |
| Heavy Atoms | 12 |
| Complexity | 330.044 |
Chemical Identifiers
| CAS Number | 77386-44-8 |
|---|---|
| SMILES | C1=C(SC(=C1)[N+](=O)[O-])C=C(Cl)Cl |
Product Overview
2-(2,2-Dichlorovinyl)-5-nitrothiophene (CAS 77386-44-8), with molecular formula C6H3Cl2NO2S and molecular weight 222.93 g/mol. IUPAC: 2-(2,2-dichloroethenyl)-5-nitrothiophene.
Chemical Property Profile of 2-(2,2-Dichlorovinyl)-5-nitrothiophene
Property Insights of 2-(2,2-Dichlorovinyl)-5-nitrothiophene
The XLogP value of 3.4323 indicates that 2-(2,2-Dichlorovinyl)-5-nitrothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 2-(2,2-Dichlorovinyl)-5-nitrothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,2-Dichlorovinyl)-5-nitrothiophene 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-Dichlorovinyl)-5-nitrothiophene?
The CAS number of 2-(2,2-Dichlorovinyl)-5-nitrothiophene is 77386-44-8.
What is the molecular formula of 2-(2,2-Dichlorovinyl)-5-nitrothiophene?
The molecular formula of 2-(2,2-Dichlorovinyl)-5-nitrothiophene is C6H3Cl2NO2S.
What is the molecular weight of 2-(2,2-Dichlorovinyl)-5-nitrothiophene?
The molecular weight of 2-(2,2-Dichlorovinyl)-5-nitrothiophene is 222.93 g/mol.
Where can I buy 2-(2,2-Dichlorovinyl)-5-nitrothiophene?
You can request a quote for 2-(2,2-Dichlorovinyl)-5-nitrothiophene 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-Dichlorovinyl)-5-nitrothiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,2-Dichlorovinyl)-5-nitrothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.