TL;DR: [2-(4-methylphenyl)sulfanylpyridin-3-yl]methyl N-(3,5-dichlorophenyl)carbamate (CAS 338413-54-0) is a chemical compound with molecular formula C20H16Cl2N2O2S and molecular weight 418.03094 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(4-methylphenyl)sulfanyl-3-pyridinyl]methyl N-(3,5-dichlorophenyl)carbamate
Also Known As: 3L-387S, [2-(4-methylphenyl)sulfanylpyridin-3-yl]methyl N-(3,5-dichlorophenyl)carbamate, {2-[(4-methylphenyl)sulfanyl]-3-pyridinyl}methyl N-(3,5-dichlorophenyl)carbamate, {2-[(4-methylphenyl)sulfanyl]pyridin-3-yl}methyl N-(3,5-dichlorophenyl)carbamate, {2-[(4-methylphenyl)sulfanyl]pyridin-3-yl}methylN-(3,5-dichlorophenyl)carbamate
| Molecular Formula | C20H16Cl2N2O2S |
| Molecular Weight | 418.03094 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 76.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.03094 Da |
| Heavy Atoms | 27 |
| Complexity | 467.0 |
| SMILES | CC1=CC=C(C=C1)SC2=C(C=CC=N2)COC(=O)NC3=CC(=CC(=C3)Cl)Cl |
| InChIKey | VOFDROXKPZFLNV-UHFFFAOYSA-N |
The XLogP value of 5.9 indicates that [2-(4-methylphenyl)sulfanylpyridin-3-yl]methyl N-(3,5-dichlorophenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(4-methylphenyl)sulfanylpyridin-3-yl]methyl N-(3,5-dichlorophenyl)carbamate. Following Lipinski's Rule of Five, [2-(4-methylphenyl)sulfanylpyridin-3-yl]methyl N-(3,5-dichlorophenyl)carbamate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of [2-(4-methylphenyl)sulfanylpyridin-3-yl]methyl N-(3,5-dichlorophenyl)carbamate is 338413-54-0.
The molecular formula of [2-(4-methylphenyl)sulfanylpyridin-3-yl]methyl N-(3,5-dichlorophenyl)carbamate is C20H16Cl2N2O2S.
The molecular weight of [2-(4-methylphenyl)sulfanylpyridin-3-yl]methyl N-(3,5-dichlorophenyl)carbamate is 418.03094 g/mol.
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