![3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)iminomethyl]-2-benzofuran-1-ol structure](/static/products/339/339008-30-9.png)
3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)iminomethyl]-2-benzofuran-1-ol
TL;DR: 3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)iminomethyl]-2-benzofuran-1-ol (CAS 339008-30-9) is a chemical compound with molecular formula C12H10N4O2S and molecular weight 274.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)iminomethyl]-2-benzofuran-1-ol
Also Known As: 3-({[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]amino}methylene)-2-benzofuran-1(3H)-one, 3-({[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino}methylidene)-2-benzofuran-1-one, (3Z)-3-({[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]amino}methylidene)-1,3-dihydro-2-benzofuran-1-one
| Molecular Formula | C12H10N4O2S |
|---|---|
| Molecular Weight | 274.05 g/mol |
| LogP | 2.729 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.05246 |
| Heavy Atoms | 19 |
| Complexity | 747.11017 |
Chemical Identifiers
| CAS Number | 339008-30-9 |
|---|---|
| SMILES | CSC1=NNC(=N1)N=CC2=C3C=CC=CC3=C(O2)O |
Product Overview
3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)iminomethyl]-2-benzofuran-1-ol (CAS 339008-30-9), with molecular formula C12H10N4O2S and molecular weight 274.05 g/mol. IUPAC: 3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)iminomethyl]-2-benzofuran-1-ol.
Chemical Property Profile of 3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)iminomethyl]-2-benzofuran-1-ol
Property Insights of 3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)iminomethyl]-2-benzofuran-1-ol
The XLogP value of 2.729 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)iminomethyl]-2-benzofuran-1-ol. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)iminomethyl]-2-benzofuran-1-ol. Following Lipinski's Rule of Five, 3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)iminomethyl]-2-benzofuran-1-ol has 2 hydrogen bond donor(s) and 6 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-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)iminomethyl]-2-benzofuran-1-ol?
The CAS number of 3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)iminomethyl]-2-benzofuran-1-ol is 339008-30-9.
What is the molecular formula of 3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)iminomethyl]-2-benzofuran-1-ol?
The molecular formula of 3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)iminomethyl]-2-benzofuran-1-ol is C12H10N4O2S.
What is the molecular weight of 3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)iminomethyl]-2-benzofuran-1-ol?
The molecular weight of 3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)iminomethyl]-2-benzofuran-1-ol is 274.05 g/mol.
Where can I buy 3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)iminomethyl]-2-benzofuran-1-ol?
You can request a quote for 3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)iminomethyl]-2-benzofuran-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)iminomethyl]-2-benzofuran-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)iminomethyl]-2-benzofuran-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.