![1-[(4-nitroanilino)methyl]-1,3-dihydro-2H-benzimidazole-2-thione structure](/static/products/759/75919-80-1.png)
1-[(4-nitroanilino)methyl]-1,3-dihydro-2H-benzimidazole-2-thione
TL;DR: 1-[(4-nitroanilino)methyl]-1,3-dihydro-2H-benzimidazole-2-thione (CAS 75919-80-1) is a chemical compound with molecular formula C14H12N4O2S and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-nitroanilino)methyl]-1H-benzimidazole-2-thione
Also Known As: 1-(4-nitroanilinomethyl)-2(3h)-benzimidazolethione, 3-[(4-nitroanilino)methyl]-1H-benzimidazole-2-thione, 3-[[(4-nitrophenyl)amino]methyl]-1H-benzoimidazole-2-thione, 1-[(4-nitroanilino)methyl]-1,3-dihydro-2H-benzimidazole-2-thione
| Molecular Formula | C14H12N4O2S |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 3.67669 |
| Topological Polar Surface Area | 75.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.06808 |
| Heavy Atoms | 21 |
| Complexity | 851.28656 |
Chemical Identifiers
| CAS Number | 75919-80-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=S)N2CNC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
1-[(4-nitroanilino)methyl]-1,3-dihydro-2H-benzimidazole-2-thione (CAS 75919-80-1), with molecular formula C14H12N4O2S and molecular weight 300.07 g/mol. IUPAC: 3-[(4-nitroanilino)methyl]-1H-benzimidazole-2-thione.
Chemical Property Profile of 1-[(4-nitroanilino)methyl]-1,3-dihydro-2H-benzimidazole-2-thione
Property Insights of 1-[(4-nitroanilino)methyl]-1,3-dihydro-2H-benzimidazole-2-thione
The XLogP value of 3.67669 indicates that 1-[(4-nitroanilino)methyl]-1,3-dihydro-2H-benzimidazole-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-nitroanilino)methyl]-1,3-dihydro-2H-benzimidazole-2-thione. Following Lipinski's Rule of Five, 1-[(4-nitroanilino)methyl]-1,3-dihydro-2H-benzimidazole-2-thione has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[(4-nitroanilino)methyl]-1,3-dihydro-2H-benzimidazole-2-thione?
The CAS number of 1-[(4-nitroanilino)methyl]-1,3-dihydro-2H-benzimidazole-2-thione is 75919-80-1.
What is the molecular formula of 1-[(4-nitroanilino)methyl]-1,3-dihydro-2H-benzimidazole-2-thione?
The molecular formula of 1-[(4-nitroanilino)methyl]-1,3-dihydro-2H-benzimidazole-2-thione is C14H12N4O2S.
What is the molecular weight of 1-[(4-nitroanilino)methyl]-1,3-dihydro-2H-benzimidazole-2-thione?
The molecular weight of 1-[(4-nitroanilino)methyl]-1,3-dihydro-2H-benzimidazole-2-thione is 300.07 g/mol.
Where can I buy 1-[(4-nitroanilino)methyl]-1,3-dihydro-2H-benzimidazole-2-thione?
You can request a quote for 1-[(4-nitroanilino)methyl]-1,3-dihydro-2H-benzimidazole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-nitroanilino)methyl]-1,3-dihydro-2H-benzimidazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-nitroanilino)methyl]-1,3-dihydro-2H-benzimidazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.