TL;DR: 3-[(Z)-2-nitroprop-1-enyl]thiophene (CAS 149977-36-6) is a chemical compound with molecular formula C7H7NO2S and molecular weight 169.01974 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(Z)-2-nitroprop-1-enyl]thiophene
Also Known As: 3-(2-nitroprop-1-enyl)thiophene, 3-[(Z)-2-nitroprop-1-enyl]thiophene, 3-[(1Z)-2-Nitroprop-1-en-1-yl]thiophene, 3-((1Z)-2-nitroprop-1-enyl)thiophene, (Z)-3-(2-Nitroprop-1-en-1-yl)thiophene
| Molecular Formula | C7H7NO2S |
| Molecular Weight | 169.01974 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 74.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.01974 Da |
| Heavy Atoms | 11 |
| Complexity | 185.0 |
| SMILES | C/C(=C/C1=CSC=C1)/[N+](=O)[O-] |
| InChIKey | XZGOEBZNMJQGQL-XQRVVYSFSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Z)-2-nitroprop-1-enyl]thiophene. The TPSA of 74.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Z)-2-nitroprop-1-enyl]thiophene. Following Lipinski's Rule of Five, 3-[(Z)-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.
The CAS number of 3-[(Z)-2-nitroprop-1-enyl]thiophene is 149977-36-6.
The molecular formula of 3-[(Z)-2-nitroprop-1-enyl]thiophene is C7H7NO2S.
The molecular weight of 3-[(Z)-2-nitroprop-1-enyl]thiophene is 169.01974 g/mol.
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