![1-{2-[Bis(methylsulfanyl)methylene]hydrazino}-1-(methylimino)-2-nitroethane structure](/static/products/3384/338402-53-2.webp)
1-{2-[Bis(methylsulfanyl)methylene]hydrazino}-1-(methylimino)-2-nitroethane
TL;DR: 1-{2-[Bis(methylsulfanyl)methylene]hydrazino}-1-(methylimino)-2-nitroethane (CAS 338402-53-2) is a chemical compound with molecular formula C6H12N4O2S2 and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[bis(methylsulfanyl)methylideneamino]-N'-methyl-2-nitroethanimidamide
Also Known As: 3B-027, 1-{2-[bis(methylsulfanyl)methylene]hydrazino}-1-(methylimino)-2-nitroethane, N-[bis(methylsulfanyl)methylideneamino]-N'-methyl-2-nitroethanimidamide, N-[bis(methylsulfanyl)methylideneamino]-N'-methyl-2-nitro-ethanimidamide, (Z)-N-{[bis(methylsulfanyl)methylidene]amino}-N'-methyl-2-nitroethanimidamide
| Molecular Formula | C6H12N4O2S2 |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 0.878 |
| Topological Polar Surface Area | 79.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.04016 |
| Heavy Atoms | 14 |
| Complexity | 248.21606 |
Chemical Identifiers
| CAS Number | 338402-53-2 |
|---|---|
| SMILES | CN=C(C[N+](=O)[O-])NN=C(SC)SC |
Product Overview
1-{2-[Bis(methylsulfanyl)methylene]hydrazino}-1-(methylimino)-2-nitroethane (CAS 338402-53-2), with molecular formula C6H12N4O2S2 and molecular weight 236.04 g/mol. IUPAC: N-[bis(methylsulfanyl)methylideneamino]-N'-methyl-2-nitroethanimidamide.
Chemical Property Profile of 1-{2-[Bis(methylsulfanyl)methylene]hydrazino}-1-(methylimino)-2-nitroethane
Property Insights of 1-{2-[Bis(methylsulfanyl)methylene]hydrazino}-1-(methylimino)-2-nitroethane
The XLogP value of 0.878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{2-[Bis(methylsulfanyl)methylene]hydrazino}-1-(methylimino)-2-nitroethane. The TPSA of 79.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{2-[Bis(methylsulfanyl)methylene]hydrazino}-1-(methylimino)-2-nitroethane. Following Lipinski's Rule of Five, 1-{2-[Bis(methylsulfanyl)methylene]hydrazino}-1-(methylimino)-2-nitroethane 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 1-{2-[Bis(methylsulfanyl)methylene]hydrazino}-1-(methylimino)-2-nitroethane?
The CAS number of 1-{2-[Bis(methylsulfanyl)methylene]hydrazino}-1-(methylimino)-2-nitroethane is 338402-53-2.
What is the molecular formula of 1-{2-[Bis(methylsulfanyl)methylene]hydrazino}-1-(methylimino)-2-nitroethane?
The molecular formula of 1-{2-[Bis(methylsulfanyl)methylene]hydrazino}-1-(methylimino)-2-nitroethane is C6H12N4O2S2.
What is the molecular weight of 1-{2-[Bis(methylsulfanyl)methylene]hydrazino}-1-(methylimino)-2-nitroethane?
The molecular weight of 1-{2-[Bis(methylsulfanyl)methylene]hydrazino}-1-(methylimino)-2-nitroethane is 236.04 g/mol.
Where can I buy 1-{2-[Bis(methylsulfanyl)methylene]hydrazino}-1-(methylimino)-2-nitroethane?
You can request a quote for 1-{2-[Bis(methylsulfanyl)methylene]hydrazino}-1-(methylimino)-2-nitroethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{2-[Bis(methylsulfanyl)methylene]hydrazino}-1-(methylimino)-2-nitroethane?
Yes, KEHONG BIO provides custom synthesis services for 1-{2-[Bis(methylsulfanyl)methylene]hydrazino}-1-(methylimino)-2-nitroethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.