4-(Furan-2-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
TL;DR: 4-(Furan-2-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one (CAS 685116-55-6) is a chemical compound with molecular formula C7H7N3O2S and molecular weight 197.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(furan-2-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
Also Known As: 4-[(furan-2-yl)methyl]-5-sulfanylidene-1,2,4-triazolidin-3-one, 4-(furan-2-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
| Molecular Formula | C7H7N3O2S |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 0.87529 |
| Topological Polar Surface Area | 66.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.0259 |
| Heavy Atoms | 13 |
| Complexity | 462.785 |
Chemical Identifiers
| CAS Number | 685116-55-6 |
|---|---|
| SMILES | C1=COC(=C1)CN2C(=O)NNC2=S |
Product Overview
4-(Furan-2-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one (CAS 685116-55-6), with molecular formula C7H7N3O2S and molecular weight 197.03 g/mol. IUPAC: 4-(furan-2-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one.
Chemical Property Profile of 4-(Furan-2-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
Property Insights of 4-(Furan-2-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
The XLogP value of 0.87529 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Furan-2-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one. The TPSA of 66.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Furan-2-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one. Following Lipinski's Rule of Five, 4-(Furan-2-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-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 4-(Furan-2-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one?
The CAS number of 4-(Furan-2-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one is 685116-55-6.
What is the molecular formula of 4-(Furan-2-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one?
The molecular formula of 4-(Furan-2-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one is C7H7N3O2S.
What is the molecular weight of 4-(Furan-2-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one?
The molecular weight of 4-(Furan-2-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one is 197.03 g/mol.
Where can I buy 4-(Furan-2-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one?
You can request a quote for 4-(Furan-2-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Furan-2-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(Furan-2-ylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.