![2-[(3-硝基-2-吡啶基)硫基]乙酸 structure](/static/products/1861/1861-47-8.webp)
2-[(3-硝基-2-吡啶基)硫基]乙酸
TL;DR: 2-[(3-硝基-2-吡啶基)硫基]乙酸 (CAS 1861-47-8) is a chemical compound with molecular formula C7H6N2O4S and molecular weight 214.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-硝基-2-吡啶基)硫基]乙酸
2-[(3-nitro-2-pyridinyl)sulfanyl]acetic acid
Also Known As: 2-[(3-nitro-2-pyridyl)thio]acetic acid, 2-((3-Nitropyridin-2-yl)thio)acetic acid, Maybridge1_004963, NCIStruc1_000937, NCIStruc2_000863
| Molecular Formula | C7H6N2O4S |
|---|---|
| Molecular Weight | 214.00 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.00482 |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 1861-47-8 |
|---|---|
| SMILES | C1=CC(=C(N=C1)SCC(=O)O)[N+](=O)[O-] |
| InChIKey | WBPUHBNGHSAAGT-UHFFFAOYSA-N |
Product Overview
2-[(3-硝基-2-吡啶基)硫基]乙酸 (CAS 1861-47-8), with molecular formula C7H6N2O4S and molecular weight 214.00 g/mol. IUPAC: 2-[(3-nitro-2-pyridinyl)sulfanyl]acetic acid.
Chemical Property Profile of 2-[(3-硝基-2-吡啶基)硫基]乙酸
Property Insights of 2-[(3-硝基-2-吡啶基)硫基]乙酸
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-硝基-2-吡啶基)硫基]乙酸. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-硝基-2-吡啶基)硫基]乙酸. Following Lipinski's Rule of Five, 2-[(3-硝基-2-吡啶基)硫基]乙酸 has 1 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-[(3-硝基-2-吡啶基)硫基]乙酸?
The CAS number of 2-[(3-硝基-2-吡啶基)硫基]乙酸 is 1861-47-8.
What is the molecular formula of 2-[(3-硝基-2-吡啶基)硫基]乙酸?
The molecular formula of 2-[(3-硝基-2-吡啶基)硫基]乙酸 is C7H6N2O4S.
What is the molecular weight of 2-[(3-硝基-2-吡啶基)硫基]乙酸?
The molecular weight of 2-[(3-硝基-2-吡啶基)硫基]乙酸 is 214.00 g/mol.
Where can I buy 2-[(3-硝基-2-吡啶基)硫基]乙酸?
You can request a quote for 2-[(3-硝基-2-吡啶基)硫基]乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-硝基-2-吡啶基)硫基]乙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-硝基-2-吡啶基)硫基]乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.