![2-[(5-nitro-1H-imidazol-4-yl)sulfanyl]acetic acid structure](/static/products/7810/78101-65-2.webp)
2-[(5-nitro-1H-imidazol-4-yl)sulfanyl]acetic acid
TL;DR: 2-[(5-nitro-1H-imidazol-4-yl)sulfanyl]acetic acid (CAS 78101-65-2) is a chemical compound with molecular formula C5H5N3O4S and molecular weight 203.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-nitro-1H-imidazol-4-yl)sulfanyl]acetic acid
Also Known As: 2-[(5-nitro-1H-imidazol-4-yl)sulfanyl]acetic acid, [(5-NITRO-1H-IMIDAZOL-4-YL)SULFANYL]ACETIC ACID, ACETIC ACID,2-[(4-NITRO-1H-IMIDAZOL-5-YL)THIO]-
| Molecular Formula | C5H5N3O4S |
|---|---|
| Molecular Weight | 203.00 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.00008 |
| Heavy Atoms | 13 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 78101-65-2 |
|---|---|
| SMILES | C1=NC(=C(N1)[N+](=O)[O-])SCC(=O)O |
| InChIKey | ZLILIFUMBWGNIS-UHFFFAOYSA-N |
Product Overview
2-[(5-nitro-1H-imidazol-4-yl)sulfanyl]acetic acid (CAS 78101-65-2), with molecular formula C5H5N3O4S and molecular weight 203.00 g/mol. IUPAC: 2-[(5-nitro-1H-imidazol-4-yl)sulfanyl]acetic acid.
Chemical Property Profile of 2-[(5-nitro-1H-imidazol-4-yl)sulfanyl]acetic acid
Property Insights of 2-[(5-nitro-1H-imidazol-4-yl)sulfanyl]acetic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(5-nitro-1H-imidazol-4-yl)sulfanyl]acetic acid. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-nitro-1H-imidazol-4-yl)sulfanyl]acetic acid. Following Lipinski's Rule of Five, 2-[(5-nitro-1H-imidazol-4-yl)sulfanyl]acetic acid 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 2-[(5-nitro-1H-imidazol-4-yl)sulfanyl]acetic acid?
The CAS number of 2-[(5-nitro-1H-imidazol-4-yl)sulfanyl]acetic acid is 78101-65-2.
What is the molecular formula of 2-[(5-nitro-1H-imidazol-4-yl)sulfanyl]acetic acid?
The molecular formula of 2-[(5-nitro-1H-imidazol-4-yl)sulfanyl]acetic acid is C5H5N3O4S.
What is the molecular weight of 2-[(5-nitro-1H-imidazol-4-yl)sulfanyl]acetic acid?
The molecular weight of 2-[(5-nitro-1H-imidazol-4-yl)sulfanyl]acetic acid is 203.00 g/mol.
Where can I buy 2-[(5-nitro-1H-imidazol-4-yl)sulfanyl]acetic acid?
You can request a quote for 2-[(5-nitro-1H-imidazol-4-yl)sulfanyl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-nitro-1H-imidazol-4-yl)sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-nitro-1H-imidazol-4-yl)sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.