3-Methyl-4-(2-sulfanylethyl)-1,4-dihydropyrazol-5-one
TL;DR: 3-Methyl-4-(2-sulfanylethyl)-1,4-dihydropyrazol-5-one (CAS 78763-67-4) is a chemical compound with molecular formula C6H10N2OS and molecular weight 158.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-(2-sulfanylethyl)-1,4-dihydropyrazol-5-one
Also Known As: 3,4-dimethoxyisocyanide, 3,4-Dimethoxyphenethyl isocyanide, 5-methyl-4-(2-sulfanylethyl)-2,4-dihydro-3h-pyrazol-3-one, 4-(2-Mercaptoethyl)-3-methyl-1H-pyrazol-5(4H)-one, 3-methyl-4-(2-sulfanylethyl)-1,4-dihydropyrazol-5-one
| Molecular Formula | C6H10N2OS |
|---|---|
| Molecular Weight | 158.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.05139 |
| Heavy Atoms | 10 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 78763-67-4 |
|---|---|
| SMILES | CC1=NNC(=O)C1CCS |
| InChIKey | TXYYNFOSPLDULW-UHFFFAOYSA-N |
Product Overview
3-Methyl-4-(2-sulfanylethyl)-1,4-dihydropyrazol-5-one (CAS 78763-67-4), with molecular formula C6H10N2OS and molecular weight 158.05 g/mol. IUPAC: 3-methyl-4-(2-sulfanylethyl)-1,4-dihydropyrazol-5-one.
Chemical Property Profile of 3-Methyl-4-(2-sulfanylethyl)-1,4-dihydropyrazol-5-one
Property Insights of 3-Methyl-4-(2-sulfanylethyl)-1,4-dihydropyrazol-5-one
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-4-(2-sulfanylethyl)-1,4-dihydropyrazol-5-one. With a topological polar surface area (TPSA) of 42.5 Ų, 3-Methyl-4-(2-sulfanylethyl)-1,4-dihydropyrazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-4-(2-sulfanylethyl)-1,4-dihydropyrazol-5-one 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 3-Methyl-4-(2-sulfanylethyl)-1,4-dihydropyrazol-5-one?
The CAS number of 3-Methyl-4-(2-sulfanylethyl)-1,4-dihydropyrazol-5-one is 78763-67-4.
What is the molecular formula of 3-Methyl-4-(2-sulfanylethyl)-1,4-dihydropyrazol-5-one?
The molecular formula of 3-Methyl-4-(2-sulfanylethyl)-1,4-dihydropyrazol-5-one is C6H10N2OS.
What is the molecular weight of 3-Methyl-4-(2-sulfanylethyl)-1,4-dihydropyrazol-5-one?
The molecular weight of 3-Methyl-4-(2-sulfanylethyl)-1,4-dihydropyrazol-5-one is 158.05 g/mol.
Where can I buy 3-Methyl-4-(2-sulfanylethyl)-1,4-dihydropyrazol-5-one?
You can request a quote for 3-Methyl-4-(2-sulfanylethyl)-1,4-dihydropyrazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-(2-sulfanylethyl)-1,4-dihydropyrazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-(2-sulfanylethyl)-1,4-dihydropyrazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.