Ethanethioic acid, ((4-nitrophenyl)amino)-, S-1H-benzimidazol-2-yl ester
TL;DR: Ethanethioic acid, ((4-nitrophenyl)amino)-, S-1H-benzimidazol-2-yl ester (CAS 83408-85-9) is a chemical compound with molecular formula C15H12N4O3S and molecular weight 328.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(1H-benzimidazol-2-yl) 2-(4-nitroanilino)ethanethioate
Also Known As: Ethanethioic acid, ((4-nitrophenyl)amino)-, S-1H-benzimidazol-2-yl ester, ((4-Nitrophenyl)amino)ethanethioic acid S-1H-benzimidazol-2-yl ester, S-(1H-benzimidazol-2-yl) 2-(4-nitroanilino)ethanethioate, 1-(1h-benzo[d]imidazol-2-ylsulfanyl)-2-[(4-nitrophenyl)amino]ethanone, S-(1H-1,3-Benzimidazol-2-yl) (4-nitroanilino)ethanethioate
| Molecular Formula | C15H12N4O3S |
|---|---|
| Molecular Weight | 328.06 g/mol |
| LogP | 3.2019 |
| Topological Polar Surface Area | 100.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.06302 |
| Heavy Atoms | 23 |
| Complexity | 827.5443 |
Chemical Identifiers
| CAS Number | 83408-85-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SC(=O)CNC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
Ethanethioic acid, ((4-nitrophenyl)amino)-, S-1H-benzimidazol-2-yl ester (CAS 83408-85-9), with molecular formula C15H12N4O3S and molecular weight 328.06 g/mol. IUPAC: S-(1H-benzimidazol-2-yl) 2-(4-nitroanilino)ethanethioate.
Chemical Property Profile of Ethanethioic acid, ((4-nitrophenyl)amino)-, S-1H-benzimidazol-2-yl ester
Property Insights of Ethanethioic acid, ((4-nitrophenyl)amino)-, S-1H-benzimidazol-2-yl ester
The XLogP value of 3.2019 indicates that Ethanethioic acid, ((4-nitrophenyl)amino)-, S-1H-benzimidazol-2-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.92 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanethioic acid, ((4-nitrophenyl)amino)-, S-1H-benzimidazol-2-yl ester. Following Lipinski's Rule of Five, Ethanethioic acid, ((4-nitrophenyl)amino)-, S-1H-benzimidazol-2-yl ester has 2 hydrogen bond donor(s) and 6 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 Ethanethioic acid, ((4-nitrophenyl)amino)-, S-1H-benzimidazol-2-yl ester?
The CAS number of Ethanethioic acid, ((4-nitrophenyl)amino)-, S-1H-benzimidazol-2-yl ester is 83408-85-9.
What is the molecular formula of Ethanethioic acid, ((4-nitrophenyl)amino)-, S-1H-benzimidazol-2-yl ester?
The molecular formula of Ethanethioic acid, ((4-nitrophenyl)amino)-, S-1H-benzimidazol-2-yl ester is C15H12N4O3S.
What is the molecular weight of Ethanethioic acid, ((4-nitrophenyl)amino)-, S-1H-benzimidazol-2-yl ester?
The molecular weight of Ethanethioic acid, ((4-nitrophenyl)amino)-, S-1H-benzimidazol-2-yl ester is 328.06 g/mol.
Where can I buy Ethanethioic acid, ((4-nitrophenyl)amino)-, S-1H-benzimidazol-2-yl ester?
You can request a quote for Ethanethioic acid, ((4-nitrophenyl)amino)-, S-1H-benzimidazol-2-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethioic acid, ((4-nitrophenyl)amino)-, S-1H-benzimidazol-2-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Ethanethioic acid, ((4-nitrophenyl)amino)-, S-1H-benzimidazol-2-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.