TL;DR: N-((p-Chlorophenyl)thio)-N-methyl-N'-2,4-xylylformamidine (CAS 55311-62-1) is a chemical compound with molecular formula C16H17ClN2S and molecular weight 304.0801 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-chlorophenyl)sulfanyl-N'-(2,4-dimethylphenyl)-N-methylmethanimidamide
Also Known As: n1-n1-methyl-n2- formamidine, N1- -N1-methyl-N2- formamidine, AI3-29209, N-((p-Chlorophenyl)thio)-N-methyl-N'-2,4-xylylformamidine, U-43,007
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H17ClN2S |
| Molecular Weight | 304.0801 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.0801 Da |
| Heavy Atoms | 20 |
| Complexity | 316.0 |
| SMILES | CC1=CC(=C(C=C1)N=CN(C)SC2=CC=C(C=C2)Cl)C |
| InChIKey | MZTDHAJDLGWQMR-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that N-((p-Chlorophenyl)thio)-N-methyl-N'-2,4-xylylformamidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.9 Ų, N-((p-Chlorophenyl)thio)-N-methyl-N'-2,4-xylylformamidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-((p-Chlorophenyl)thio)-N-methyl-N'-2,4-xylylformamidine has 0 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 N-((p-Chlorophenyl)thio)-N-methyl-N'-2,4-xylylformamidine is 55311-62-1.
The molecular formula of N-((p-Chlorophenyl)thio)-N-methyl-N'-2,4-xylylformamidine is C16H17ClN2S.
The molecular weight of N-((p-Chlorophenyl)thio)-N-methyl-N'-2,4-xylylformamidine is 304.0801 g/mol.
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