Methyl 3-amino-5-(nitromethylidene)dithiole-4-carboxylate
TL;DR: Methyl 3-amino-5-(nitromethylidene)dithiole-4-carboxylate (CAS 78649-93-1) is a chemical compound with molecular formula C6H6N2O4S2 and molecular weight 233.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-5-(nitromethylidene)dithiole-4-carboxylate
Also Known As: methyl 3-amino-5-(nitromethylidene)dithiole-4-carboxylate, Methyl (3Z)-5-amino-3-(nitromethylene)-3H-1,2-dithiole-4-carboxylate
| Molecular Formula | C6H6N2O4S2 |
|---|---|
| Molecular Weight | 233.98 g/mol |
| LogP | 0.8428 |
| Topological Polar Surface Area | 95.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.9769 |
| Heavy Atoms | 14 |
| Complexity | 349.74066 |
Chemical Identifiers
| CAS Number | 78649-93-1 |
|---|---|
| SMILES | COC(=O)C1=C(SSC1=C[N+](=O)[O-])N |
Product Overview
Methyl 3-amino-5-(nitromethylidene)dithiole-4-carboxylate (CAS 78649-93-1), with molecular formula C6H6N2O4S2 and molecular weight 233.98 g/mol. IUPAC: methyl 3-amino-5-(nitromethylidene)dithiole-4-carboxylate.
Chemical Property Profile of Methyl 3-amino-5-(nitromethylidene)dithiole-4-carboxylate
Property Insights of Methyl 3-amino-5-(nitromethylidene)dithiole-4-carboxylate
The XLogP value of 0.8428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-amino-5-(nitromethylidene)dithiole-4-carboxylate. The TPSA of 95.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-amino-5-(nitromethylidene)dithiole-4-carboxylate. Following Lipinski's Rule of Five, Methyl 3-amino-5-(nitromethylidene)dithiole-4-carboxylate has 1 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 Methyl 3-amino-5-(nitromethylidene)dithiole-4-carboxylate?
The CAS number of Methyl 3-amino-5-(nitromethylidene)dithiole-4-carboxylate is 78649-93-1.
What is the molecular formula of Methyl 3-amino-5-(nitromethylidene)dithiole-4-carboxylate?
The molecular formula of Methyl 3-amino-5-(nitromethylidene)dithiole-4-carboxylate is C6H6N2O4S2.
What is the molecular weight of Methyl 3-amino-5-(nitromethylidene)dithiole-4-carboxylate?
The molecular weight of Methyl 3-amino-5-(nitromethylidene)dithiole-4-carboxylate is 233.98 g/mol.
Where can I buy Methyl 3-amino-5-(nitromethylidene)dithiole-4-carboxylate?
You can request a quote for Methyl 3-amino-5-(nitromethylidene)dithiole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-amino-5-(nitromethylidene)dithiole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-amino-5-(nitromethylidene)dithiole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.