TL;DR: 2-[(4-Phenyl-1,3-thiazol-2-yl)sulfanyl]acetonitrile (CAS 103483-15-4) is a chemical compound with molecular formula C11H8N2S2 and molecular weight 232.0129 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetonitrile
Also Known As: (4-Phenylthiazole-2-ylthio)acetonitrile, 2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetonitrile, SDCCGMLS-0009108.P002, [(4-Phenyl-2-thiazolyl)thio]acetonitrile, [(4-Phenylthiazole-2-yl)thio]acetonitrile
| Molecular Formula | C11H8N2S2 |
| Molecular Weight | 232.0129 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 90.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.0129 Da |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
| SMILES | C1=CC=C(C=C1)C2=CSC(=N2)SCC#N |
| InChIKey | URSIHXVFHUUAQS-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 2-[(4-Phenyl-1,3-thiazol-2-yl)sulfanyl]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Phenyl-1,3-thiazol-2-yl)sulfanyl]acetonitrile. Following Lipinski's Rule of Five, 2-[(4-Phenyl-1,3-thiazol-2-yl)sulfanyl]acetonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[(4-Phenyl-1,3-thiazol-2-yl)sulfanyl]acetonitrile is 103483-15-4.
The molecular formula of 2-[(4-Phenyl-1,3-thiazol-2-yl)sulfanyl]acetonitrile is C11H8N2S2.
The molecular weight of 2-[(4-Phenyl-1,3-thiazol-2-yl)sulfanyl]acetonitrile is 232.0129 g/mol.
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