N-(4-methoxyphenyl)-1H-benzimidazole-2-carbothioamide
TL;DR: N-(4-methoxyphenyl)-1H-benzimidazole-2-carbothioamide (CAS 157116-96-6) is a chemical compound with molecular formula C15H13N3OS and molecular weight 283.07794 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-methoxyphenyl)-1H-benzimidazole-2-carbothioamide
Also Known As: N-(4-methoxyphenyl)-1H-benzimidazole-2-carbothioamide, AB00116241-01, N-(4-methoxyphenyl)-1H-benzo[d]imidazole-2-carbothioamide
Technical Specifications
| Molecular Formula | C15H13N3OS |
| Molecular Weight | 283.07794 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 82.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.07794 Da |
| Heavy Atoms | 20 |
| Complexity | 344.0 |
| SMILES | COC1=CC=C(C=C1)NC(=S)C2=NC3=CC=CC=C3N2 |
| InChIKey | ASIYJRSMNDEZLP-UHFFFAOYSA-N |
Chemical Property Profile of N-(4-methoxyphenyl)-1H-benzimidazole-2-carbothioamide
Property Insights of N-(4-methoxyphenyl)-1H-benzimidazole-2-carbothioamide
The XLogP value of 3.2 indicates that N-(4-methoxyphenyl)-1H-benzimidazole-2-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-methoxyphenyl)-1H-benzimidazole-2-carbothioamide. Following Lipinski's Rule of Five, N-(4-methoxyphenyl)-1H-benzimidazole-2-carbothioamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(4-methoxyphenyl)-1H-benzimidazole-2-carbothioamide?
The CAS number of N-(4-methoxyphenyl)-1H-benzimidazole-2-carbothioamide is 157116-96-6.
What is the molecular formula of N-(4-methoxyphenyl)-1H-benzimidazole-2-carbothioamide?
The molecular formula of N-(4-methoxyphenyl)-1H-benzimidazole-2-carbothioamide is C15H13N3OS.
What is the molecular weight of N-(4-methoxyphenyl)-1H-benzimidazole-2-carbothioamide?
The molecular weight of N-(4-methoxyphenyl)-1H-benzimidazole-2-carbothioamide is 283.07794 g/mol.
Where can I buy N-(4-methoxyphenyl)-1H-benzimidazole-2-carbothioamide?
You can request a quote for N-(4-methoxyphenyl)-1H-benzimidazole-2-carbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(4-methoxyphenyl)-1H-benzimidazole-2-carbothioamide?
Yes, CoreyChem provides custom synthesis services for N-(4-methoxyphenyl)-1H-benzimidazole-2-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.