![2-methyl-5-methylsulfanyl-4-[(5-nitrofuran-2-yl)methylideneamino]-1,2,4-triazole-3-thione structure](/static/products/1110/111042-01-4.webp)
2-methyl-5-methylsulfanyl-4-[(5-nitrofuran-2-yl)methylideneamino]-1,2,4-triazole-3-thione
TL;DR: 2-methyl-5-methylsulfanyl-4-[(5-nitrofuran-2-yl)methylideneamino]-1,2,4-triazole-3-thione (CAS 111042-01-4) is a chemical compound with molecular formula C9H9N5O3S2 and molecular weight 299.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-methylsulfanyl-4-[(5-nitrofuran-2-yl)methylideneamino]-1,2,4-triazole-3-thione
Also Known As: 2-methyl-5-methylsulfanyl-4-[(5-nitrofuran-2-yl)methylideneamino]-1,2,4-triazole-3-thione, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2-methyl-5-(methylthio)-4-(((5-nitro-2-furanyl)methylene)amino)-, 3H-1,2,4-Triazole-3-thione,2,4-dihydro-2-methyl-5-(methylthio)-4-[[(5-nitro-2-furanyl)methylene]amino]-, 2,4-Dihydro-2-methyl-5-(methylthio)-4-(((5-nitro-2-furanyl)methylene)amino)-3H-1,2,4-triazole-3-thione, 2-Methyl-5-(methylsulfanyl)-4-{[(5-nitrofuran-2-yl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C9H9N5O3S2 |
|---|---|
| Molecular Weight | 299.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.01468 |
| Heavy Atoms | 19 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 111042-01-4 |
|---|---|
| SMILES | CN1C(=S)N(C(=N1)SC)N=CC2=CC=C(O2)[N+](=O)[O-] |
| InChIKey | HFLBVHGFCUCTKY-UHFFFAOYSA-N |
Product Overview
2-methyl-5-methylsulfanyl-4-[(5-nitrofuran-2-yl)methylideneamino]-1,2,4-triazole-3-thione (CAS 111042-01-4), with molecular formula C9H9N5O3S2 and molecular weight 299.01 g/mol. IUPAC: 2-methyl-5-methylsulfanyl-4-[(5-nitrofuran-2-yl)methylideneamino]-1,2,4-triazole-3-thione.
Chemical Property Profile of 2-methyl-5-methylsulfanyl-4-[(5-nitrofuran-2-yl)methylideneamino]-1,2,4-triazole-3-thione
Property Insights of 2-methyl-5-methylsulfanyl-4-[(5-nitrofuran-2-yl)methylideneamino]-1,2,4-triazole-3-thione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-5-methylsulfanyl-4-[(5-nitrofuran-2-yl)methylideneamino]-1,2,4-triazole-3-thione. The TPSA of 148.0 Ų indicates high polarity, suggesting 2-methyl-5-methylsulfanyl-4-[(5-nitrofuran-2-yl)methylideneamino]-1,2,4-triazole-3-thione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-methyl-5-methylsulfanyl-4-[(5-nitrofuran-2-yl)methylideneamino]-1,2,4-triazole-3-thione has 0 hydrogen bond donor(s) and 7 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 2-methyl-5-methylsulfanyl-4-[(5-nitrofuran-2-yl)methylideneamino]-1,2,4-triazole-3-thione?
The CAS number of 2-methyl-5-methylsulfanyl-4-[(5-nitrofuran-2-yl)methylideneamino]-1,2,4-triazole-3-thione is 111042-01-4.
What is the molecular formula of 2-methyl-5-methylsulfanyl-4-[(5-nitrofuran-2-yl)methylideneamino]-1,2,4-triazole-3-thione?
The molecular formula of 2-methyl-5-methylsulfanyl-4-[(5-nitrofuran-2-yl)methylideneamino]-1,2,4-triazole-3-thione is C9H9N5O3S2.
What is the molecular weight of 2-methyl-5-methylsulfanyl-4-[(5-nitrofuran-2-yl)methylideneamino]-1,2,4-triazole-3-thione?
The molecular weight of 2-methyl-5-methylsulfanyl-4-[(5-nitrofuran-2-yl)methylideneamino]-1,2,4-triazole-3-thione is 299.01 g/mol.
Where can I buy 2-methyl-5-methylsulfanyl-4-[(5-nitrofuran-2-yl)methylideneamino]-1,2,4-triazole-3-thione?
You can request a quote for 2-methyl-5-methylsulfanyl-4-[(5-nitrofuran-2-yl)methylideneamino]-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-5-methylsulfanyl-4-[(5-nitrofuran-2-yl)methylideneamino]-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-5-methylsulfanyl-4-[(5-nitrofuran-2-yl)methylideneamino]-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.