1H-Benzimidazole-2-ethanethioamide(9CI)
TL;DR: 1H-Benzimidazole-2-ethanethioamide(9CI) (CAS 142744-17-0) is a chemical compound with molecular formula C16H21N5O5S and molecular weight 395.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitrobenzene-1,3-diamine
Also Known As: 1H-Benzimidazole-2-ethanethioamide(9CI), 1,3-Benzenediamine, 4,6-dinitro-N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-, 1,3-Benzenediamine, 4,6-dinitro-N-(2-(((5-((dimethylamino)methyl)-2-fu ranyl)methyl)thio)ethyl)-, 3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitrobenzene-1,3-diamine, 3-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitrobenzene-1,3-diamine
| Molecular Formula | C16H21N5O5S |
|---|---|
| Molecular Weight | 395.13 g/mol |
| LogP | 3.0851 |
| Topological Polar Surface Area | 140.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 395.12634 |
| Heavy Atoms | 27 |
| Complexity | 823.52747 |
Chemical Identifiers
| CAS Number | 142744-17-0 |
|---|---|
| SMILES | CN(C)CC1=CC=C(O1)CSCCNC2=C(C=C(C(=C2)N)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1H-Benzimidazole-2-ethanethioamide(9CI) (CAS 142744-17-0), with molecular formula C16H21N5O5S and molecular weight 395.13 g/mol. IUPAC: 3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitrobenzene-1,3-diamine.
Chemical Property Profile of 1H-Benzimidazole-2-ethanethioamide(9CI)
Property Insights of 1H-Benzimidazole-2-ethanethioamide(9CI)
The XLogP value of 3.0851 indicates that 1H-Benzimidazole-2-ethanethioamide(9CI) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.71 Ų indicates high polarity, suggesting 1H-Benzimidazole-2-ethanethioamide(9CI) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1H-Benzimidazole-2-ethanethioamide(9CI) has 2 hydrogen bond donor(s) and 9 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 1H-Benzimidazole-2-ethanethioamide(9CI)?
The CAS number of 1H-Benzimidazole-2-ethanethioamide(9CI) is 142744-17-0.
What is the molecular formula of 1H-Benzimidazole-2-ethanethioamide(9CI)?
The molecular formula of 1H-Benzimidazole-2-ethanethioamide(9CI) is C16H21N5O5S.
What is the molecular weight of 1H-Benzimidazole-2-ethanethioamide(9CI)?
The molecular weight of 1H-Benzimidazole-2-ethanethioamide(9CI) is 395.13 g/mol.
Where can I buy 1H-Benzimidazole-2-ethanethioamide(9CI)?
You can request a quote for 1H-Benzimidazole-2-ethanethioamide(9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzimidazole-2-ethanethioamide(9CI)?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazole-2-ethanethioamide(9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.