TL;DR: 1-Benzothiophene-3-carboximidamide hydrochloride (CAS 154650-82-5) is a chemical compound with molecular formula C9H9ClN2S and molecular weight 212.0175 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzothiophene-3-carboximidamide;hydrochloride
Also Known As: 1-benzothiophene-3-carboximidamide hydrochloride, 1-benzothiophene-3-carboximidamide;hydrochloride, benzo[b]thiophene-3-carboxamidine, chloride, benzothiophene-3-carboxamidine;hydrochloride, 1-benzothiophene-3-carboximidamidine hydrochloride
| Molecular Formula | C9H9ClN2S |
| Molecular Weight | 212.0175 g/mol |
| XLogP | 2.60717 |
| Topological Polar Surface Area (TPSA) | 78.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.0175 Da |
| Heavy Atoms | 13 |
| Complexity | 193.0 |
| SMILES | C1=CC=C2C(=C1)C(=CS2)C(=N)N.Cl |
| InChIKey | QWISXMSXASGOAP-UHFFFAOYSA-N |
The XLogP value of 2.60717 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzothiophene-3-carboximidamide hydrochloride. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzothiophene-3-carboximidamide hydrochloride. Following Lipinski's Rule of Five, 1-Benzothiophene-3-carboximidamide hydrochloride has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Benzothiophene-3-carboximidamide hydrochloride is 154650-82-5.
The molecular formula of 1-Benzothiophene-3-carboximidamide hydrochloride is C9H9ClN2S.
The molecular weight of 1-Benzothiophene-3-carboximidamide hydrochloride is 212.0175 g/mol.
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