TL;DR: 1-(4-chlorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine (CAS 117535-28-1) is a chemical compound with molecular formula C14H13ClN2S and molecular weight 276.0488 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine
Also Known As: 1-(4-chlorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine
| Molecular Formula | C14H13ClN2S |
| Molecular Weight | 276.0488 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 53.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.0488 Da |
| Heavy Atoms | 18 |
| Complexity | 302.0 |
| SMILES | C1CCC2=C(C1)N=C(S2)N=CC3=CC=C(C=C3)Cl |
| InChIKey | GUFUIKVCVBRCGU-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that 1-(4-chlorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.5 Ų, 1-(4-chlorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine 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 1-(4-chlorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine is 117535-28-1.
The molecular formula of 1-(4-chlorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine is C14H13ClN2S.
The molecular weight of 1-(4-chlorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine is 276.0488 g/mol.
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