![6-methyl-4-[(E)-(3-nitrophenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one structure](/static/products/100/1002103-80-1.png)
6-methyl-4-[(E)-(3-nitrophenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one
TL;DR: 6-methyl-4-[(E)-(3-nitrophenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one (CAS 1002103-80-1) is a chemical compound with molecular formula C11H9N5O3S and molecular weight 291.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-4-[(E)-(3-nitrophenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one
Also Known As: 6-methyl-4-[(E)-(3-nitrophenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one, 6-methyl-4-{[(E)-(3-nitrophenyl)methylidene]amino}-3-sulfanyl-1,2,4-triazin-5(4H)-one, (E)-6-methyl-4-((3-nitrobenzylidene)amino)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one, 4-[(1E)-2-(3-nitrophenyl)-1-azavinyl]-6-methyl-3-thioxo-2H-1,2,4-triazin-5-one, 6-METHYL-4-[(E)-[(3-NITROPHENYL)METHYLIDENE]AMINO]-3-SULFANYLIDENE-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZIN-5-ONE
| Molecular Formula | C11H9N5O3S |
|---|---|
| Molecular Weight | 291.04 g/mol |
| LogP | 1.39971 |
| Topological Polar Surface Area | 106.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.0426 |
| Heavy Atoms | 20 |
| Complexity | 808.1913 |
Chemical Identifiers
| CAS Number | 1002103-80-1 |
|---|---|
| SMILES | CC1=NNC(=S)N(C1=O)/N=C/C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
6-methyl-4-[(E)-(3-nitrophenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one (CAS 1002103-80-1), with molecular formula C11H9N5O3S and molecular weight 291.04 g/mol. IUPAC: 6-methyl-4-[(E)-(3-nitrophenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one.
Chemical Property Profile of 6-methyl-4-[(E)-(3-nitrophenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one
Property Insights of 6-methyl-4-[(E)-(3-nitrophenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one
The XLogP value of 1.39971 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-methyl-4-[(E)-(3-nitrophenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one. The TPSA of 106.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-methyl-4-[(E)-(3-nitrophenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one. Following Lipinski's Rule of Five, 6-methyl-4-[(E)-(3-nitrophenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one has 1 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 6-methyl-4-[(E)-(3-nitrophenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one?
The CAS number of 6-methyl-4-[(E)-(3-nitrophenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one is 1002103-80-1.
What is the molecular formula of 6-methyl-4-[(E)-(3-nitrophenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one?
The molecular formula of 6-methyl-4-[(E)-(3-nitrophenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one is C11H9N5O3S.
What is the molecular weight of 6-methyl-4-[(E)-(3-nitrophenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one?
The molecular weight of 6-methyl-4-[(E)-(3-nitrophenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one is 291.04 g/mol.
Where can I buy 6-methyl-4-[(E)-(3-nitrophenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one?
You can request a quote for 6-methyl-4-[(E)-(3-nitrophenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-methyl-4-[(E)-(3-nitrophenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 6-methyl-4-[(E)-(3-nitrophenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.