1H-Pyrazole, 3-(ethylthio)-5-methyl-4-nitro-
TL;DR: 1H-Pyrazole, 3-(ethylthio)-5-methyl-4-nitro- (CAS 76143-55-0) is a chemical compound with molecular formula C6H9N3O2S and molecular weight 187.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethylsulfanyl-5-methyl-4-nitro-1H-pyrazole
Also Known As: 1H-Pyrazole, 3-(ethylthio)-5-methyl-4-nitro-, 3-ethylsulfanyl-5-methyl-4-nitro-1H-pyrazole, 3-(ethylsulfanyl)-5-methyl-4-nitro-1H-pyrazole
| Molecular Formula | C6H9N3O2S |
|---|---|
| Molecular Weight | 187.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.04155 |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 76143-55-0 |
|---|---|
| SMILES | CCSC1=NNC(=C1[N+](=O)[O-])C |
| InChIKey | KLDQBNODHXWUBJ-UHFFFAOYSA-N |
Product Overview
1H-Pyrazole, 3-(ethylthio)-5-methyl-4-nitro- (CAS 76143-55-0), with molecular formula C6H9N3O2S and molecular weight 187.04 g/mol. IUPAC: 3-ethylsulfanyl-5-methyl-4-nitro-1H-pyrazole.
Chemical Property Profile of 1H-Pyrazole, 3-(ethylthio)-5-methyl-4-nitro-
Property Insights of 1H-Pyrazole, 3-(ethylthio)-5-methyl-4-nitro-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole, 3-(ethylthio)-5-methyl-4-nitro-. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazole, 3-(ethylthio)-5-methyl-4-nitro-. Following Lipinski's Rule of Five, 1H-Pyrazole, 3-(ethylthio)-5-methyl-4-nitro- has 1 hydrogen bond donor(s) and 4 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-Pyrazole, 3-(ethylthio)-5-methyl-4-nitro-?
The CAS number of 1H-Pyrazole, 3-(ethylthio)-5-methyl-4-nitro- is 76143-55-0.
What is the molecular formula of 1H-Pyrazole, 3-(ethylthio)-5-methyl-4-nitro-?
The molecular formula of 1H-Pyrazole, 3-(ethylthio)-5-methyl-4-nitro- is C6H9N3O2S.
What is the molecular weight of 1H-Pyrazole, 3-(ethylthio)-5-methyl-4-nitro-?
The molecular weight of 1H-Pyrazole, 3-(ethylthio)-5-methyl-4-nitro- is 187.04 g/mol.
Where can I buy 1H-Pyrazole, 3-(ethylthio)-5-methyl-4-nitro-?
You can request a quote for 1H-Pyrazole, 3-(ethylthio)-5-methyl-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole, 3-(ethylthio)-5-methyl-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole, 3-(ethylthio)-5-methyl-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.