1H-Pyrrole, 2-(methylthio)-3-nitro-
TL;DR: 1H-Pyrrole, 2-(methylthio)-3-nitro- (CAS 61201-15-8) is a chemical compound with molecular formula C5H6N2O2S and molecular weight 158.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-3-nitro-1H-pyrrole
Also Known As: 1H-Pyrrole, 2-(methylthio)-3-nitro-, 2-methylthio-3-nitropyrrole, 2-(Methylthio)-3-nitro-1H-pyrrole, 2-methylsulfanyl-3-nitropyrrole, Ethyl 3-methyl-2,4-dioxohexanoate
| Molecular Formula | C5H6N2O2S |
|---|---|
| Molecular Weight | 158.01 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.015 |
| Heavy Atoms | 10 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 61201-15-8 |
|---|---|
| SMILES | CSC1=C(C=CN1)[N+](=O)[O-] |
| InChIKey | YDLUFXQFKDNJBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Pyrrole, 2-(methylthio)-3-nitro- (CAS 61201-15-8), with molecular formula C5H6N2O2S and molecular weight 158.01 g/mol. IUPAC: 2-methylsulfanyl-3-nitro-1H-pyrrole.
Chemical Property Profile of 1H-Pyrrole, 2-(methylthio)-3-nitro-
Property Insights of 1H-Pyrrole, 2-(methylthio)-3-nitro-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole, 2-(methylthio)-3-nitro-. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole, 2-(methylthio)-3-nitro-. Following Lipinski's Rule of Five, 1H-Pyrrole, 2-(methylthio)-3-nitro- has 1 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 1H-Pyrrole, 2-(methylthio)-3-nitro-?
The CAS number of 1H-Pyrrole, 2-(methylthio)-3-nitro- is 61201-15-8.
What is the molecular formula of 1H-Pyrrole, 2-(methylthio)-3-nitro-?
The molecular formula of 1H-Pyrrole, 2-(methylthio)-3-nitro- is C5H6N2O2S.
What is the molecular weight of 1H-Pyrrole, 2-(methylthio)-3-nitro-?
The molecular weight of 1H-Pyrrole, 2-(methylthio)-3-nitro- is 158.01 g/mol.
Where can I buy 1H-Pyrrole, 2-(methylthio)-3-nitro-?
You can request a quote for 1H-Pyrrole, 2-(methylthio)-3-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole, 2-(methylthio)-3-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole, 2-(methylthio)-3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.