2-(2-吡啶基)乙基硫代亚胺酸酯
TL;DR: 2-(2-吡啶基)乙基硫代亚胺酸酯 (CAS 6298-12-0) is a chemical compound with molecular formula C8H11N3S and molecular weight 181.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-吡啶基)乙基硫代亚胺酸酯
2-pyridin-2-ylethyl carbamimidothioate
Also Known As: NCIStruc1_000633, NCIStruc2_000381, 2-pyridin-2-ylethyl carbamimidothioate, Carbamimidothioic acid, 2-(2-pyridinyl)ethyl ester, 2-(2-pyridinyl)ethyl imidothiocarbamate
| Molecular Formula | C8H11N3S |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 181.06737 |
| Heavy Atoms | 12 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 6298-12-0 |
|---|---|
| SMILES | C1=CC=NC(=C1)CCSC(=N)N |
| InChIKey | ZPWUWFMWXOZRCW-UHFFFAOYSA-N |
Product Overview
2-(2-吡啶基)乙基硫代亚胺酸酯 (CAS 6298-12-0), with molecular formula C8H11N3S and molecular weight 181.07 g/mol. IUPAC: 2-pyridin-2-ylethyl carbamimidothioate.
Chemical Property Profile of 2-(2-吡啶基)乙基硫代亚胺酸酯
Property Insights of 2-(2-吡啶基)乙基硫代亚胺酸酯
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-吡啶基)乙基硫代亚胺酸酯. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-吡啶基)乙基硫代亚胺酸酯. Following Lipinski's Rule of Five, 2-(2-吡啶基)乙基硫代亚胺酸酯 has 2 hydrogen bond donor(s) and 3 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-(2-吡啶基)乙基硫代亚胺酸酯?
The CAS number of 2-(2-吡啶基)乙基硫代亚胺酸酯 is 6298-12-0.
What is the molecular formula of 2-(2-吡啶基)乙基硫代亚胺酸酯?
The molecular formula of 2-(2-吡啶基)乙基硫代亚胺酸酯 is C8H11N3S.
What is the molecular weight of 2-(2-吡啶基)乙基硫代亚胺酸酯?
The molecular weight of 2-(2-吡啶基)乙基硫代亚胺酸酯 is 181.07 g/mol.
Where can I buy 2-(2-吡啶基)乙基硫代亚胺酸酯?
You can request a quote for 2-(2-吡啶基)乙基硫代亚胺酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-吡啶基)乙基硫代亚胺酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-吡啶基)乙基硫代亚胺酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.