TL;DR: 1-(3-Azido-4-chlorophenyl)-3-methyl-2-thiourea (CAS 149528-26-7) is a chemical compound with molecular formula C8H8ClN5S and molecular weight 241.01889 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-azido-4-chlorophenyl)-3-methylthiourea
Also Known As: Meacptu, (3H)Meacptu, 1-(3-Azido-4-chlorophenyl)-3-methyl-2-thiourea, 1-(3-azido-4-chlorophenyl)-3-methylthiourea, Thiourea,N-(3-azido-4-chlorophenyl)-N'-methyl-
| Molecular Formula | C8H8ClN5S |
| Molecular Weight | 241.01889 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 70.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.01889 Da |
| Heavy Atoms | 15 |
| Complexity | 278.0 |
| SMILES | CNC(=S)NC1=CC(=C(C=C1)Cl)N=[N+]=[N-] |
| InChIKey | UYEFXKAVVKKGLP-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 1-(3-Azido-4-chlorophenyl)-3-methyl-2-thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Azido-4-chlorophenyl)-3-methyl-2-thiourea. Following Lipinski's Rule of Five, 1-(3-Azido-4-chlorophenyl)-3-methyl-2-thiourea has 2 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-(3-Azido-4-chlorophenyl)-3-methyl-2-thiourea is 149528-26-7.
The molecular formula of 1-(3-Azido-4-chlorophenyl)-3-methyl-2-thiourea is C8H8ClN5S.
The molecular weight of 1-(3-Azido-4-chlorophenyl)-3-methyl-2-thiourea is 241.01889 g/mol.
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