![(E)-1-methyl-3-(((5-nitrothiophen-2-yl)methylene)amino)-1H-benzo[d]imidazole-2(3H)-thione structure](/static/products/586/586997-51-5.png)
(E)-1-methyl-3-(((5-nitrothiophen-2-yl)methylene)amino)-1H-benzo[d]imidazole-2(3H)-thione
TL;DR: (E)-1-methyl-3-(((5-nitrothiophen-2-yl)methylene)amino)-1H-benzo[d]imidazole-2(3H)-thione (CAS 586997-51-5) is a chemical compound with molecular formula C13H10N4O2S2 and molecular weight 318.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzimidazole-2-thione
Also Known As: (E)-1-methyl-3-(((5-nitrothiophen-2-yl)methylene)amino)-1H-benzo[d]imidazole-2(3H)-thione, 1-methyl-3-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzimidazole-2-thione, 1-methyl-3-{[(E)-(5-nitrothiophen-2-yl)methylidene]amino}-1,3-dihydro-2H-benzimidazole-2-thione
| Molecular Formula | C13H10N4O2S2 |
|---|---|
| Molecular Weight | 318.02 g/mol |
| LogP | 3.56119 |
| Topological Polar Surface Area | 65.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.0245 |
| Heavy Atoms | 21 |
| Complexity | 919.7892 |
Chemical Identifiers
| CAS Number | 586997-51-5 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N(C1=S)/N=C/C3=CC=C(S3)[N+](=O)[O-] |
Product Overview
(E)-1-methyl-3-(((5-nitrothiophen-2-yl)methylene)amino)-1H-benzo[d]imidazole-2(3H)-thione (CAS 586997-51-5), with molecular formula C13H10N4O2S2 and molecular weight 318.02 g/mol. IUPAC: 1-methyl-3-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzimidazole-2-thione.
Chemical Property Profile of (E)-1-methyl-3-(((5-nitrothiophen-2-yl)methylene)amino)-1H-benzo[d]imidazole-2(3H)-thione
Property Insights of (E)-1-methyl-3-(((5-nitrothiophen-2-yl)methylene)amino)-1H-benzo[d]imidazole-2(3H)-thione
The XLogP value of 3.56119 indicates that (E)-1-methyl-3-(((5-nitrothiophen-2-yl)methylene)amino)-1H-benzo[d]imidazole-2(3H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.36 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-methyl-3-(((5-nitrothiophen-2-yl)methylene)amino)-1H-benzo[d]imidazole-2(3H)-thione. Following Lipinski's Rule of Five, (E)-1-methyl-3-(((5-nitrothiophen-2-yl)methylene)amino)-1H-benzo[d]imidazole-2(3H)-thione has 0 hydrogen bond donor(s) and 5 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 (E)-1-methyl-3-(((5-nitrothiophen-2-yl)methylene)amino)-1H-benzo[d]imidazole-2(3H)-thione?
The CAS number of (E)-1-methyl-3-(((5-nitrothiophen-2-yl)methylene)amino)-1H-benzo[d]imidazole-2(3H)-thione is 586997-51-5.
What is the molecular formula of (E)-1-methyl-3-(((5-nitrothiophen-2-yl)methylene)amino)-1H-benzo[d]imidazole-2(3H)-thione?
The molecular formula of (E)-1-methyl-3-(((5-nitrothiophen-2-yl)methylene)amino)-1H-benzo[d]imidazole-2(3H)-thione is C13H10N4O2S2.
What is the molecular weight of (E)-1-methyl-3-(((5-nitrothiophen-2-yl)methylene)amino)-1H-benzo[d]imidazole-2(3H)-thione?
The molecular weight of (E)-1-methyl-3-(((5-nitrothiophen-2-yl)methylene)amino)-1H-benzo[d]imidazole-2(3H)-thione is 318.02 g/mol.
Where can I buy (E)-1-methyl-3-(((5-nitrothiophen-2-yl)methylene)amino)-1H-benzo[d]imidazole-2(3H)-thione?
You can request a quote for (E)-1-methyl-3-(((5-nitrothiophen-2-yl)methylene)amino)-1H-benzo[d]imidazole-2(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-methyl-3-(((5-nitrothiophen-2-yl)methylene)amino)-1H-benzo[d]imidazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-methyl-3-(((5-nitrothiophen-2-yl)methylene)amino)-1H-benzo[d]imidazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.