3-Methyl-2-(2-nitroprop-1-enyl)thiophene
TL;DR: 3-Methyl-2-(2-nitroprop-1-enyl)thiophene (CAS 71271-57-3) is a chemical compound with molecular formula C8H9NO2S and molecular weight 183.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-(2-nitroprop-1-enyl)thiophene
Also Known As: 3-methyl-2-(2-nitroprop-1-enyl)thiophene, Thiophene, 3-methyl-2-(2-nitro-1-propenyl)- (en)
| Molecular Formula | C8H9NO2S |
|---|---|
| Molecular Weight | 183.04 g/mol |
| LogP | 2.69402 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.0354 |
| Heavy Atoms | 12 |
| Complexity | 327.55377 |
Chemical Identifiers
| CAS Number | 71271-57-3 |
|---|---|
| SMILES | CC1=C(SC=C1)C=C(C)[N+](=O)[O-] |
Product Overview
3-Methyl-2-(2-nitroprop-1-enyl)thiophene (CAS 71271-57-3), with molecular formula C8H9NO2S and molecular weight 183.04 g/mol. IUPAC: 3-methyl-2-(2-nitroprop-1-enyl)thiophene.
Chemical Property Profile of 3-Methyl-2-(2-nitroprop-1-enyl)thiophene
Property Insights of 3-Methyl-2-(2-nitroprop-1-enyl)thiophene
The XLogP value of 2.69402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-(2-nitroprop-1-enyl)thiophene. With a topological polar surface area (TPSA) of 43.14 Ų, 3-Methyl-2-(2-nitroprop-1-enyl)thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2-(2-nitroprop-1-enyl)thiophene 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 3-Methyl-2-(2-nitroprop-1-enyl)thiophene?
The CAS number of 3-Methyl-2-(2-nitroprop-1-enyl)thiophene is 71271-57-3.
What is the molecular formula of 3-Methyl-2-(2-nitroprop-1-enyl)thiophene?
The molecular formula of 3-Methyl-2-(2-nitroprop-1-enyl)thiophene is C8H9NO2S.
What is the molecular weight of 3-Methyl-2-(2-nitroprop-1-enyl)thiophene?
The molecular weight of 3-Methyl-2-(2-nitroprop-1-enyl)thiophene is 183.04 g/mol.
Where can I buy 3-Methyl-2-(2-nitroprop-1-enyl)thiophene?
You can request a quote for 3-Methyl-2-(2-nitroprop-1-enyl)thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-(2-nitroprop-1-enyl)thiophene?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-(2-nitroprop-1-enyl)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.