5-Nitrothiophene-2-carboxaldehyde semicarbazone
TL;DR: 5-Nitrothiophene-2-carboxaldehyde semicarbazone (CAS 69467-90-9) is a chemical compound with molecular formula C6H6N4O3S and molecular weight 214.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-(5-nitrothiophen-2-yl)methylideneamino]urea
Also Known As: [(5-nitrothiophen-2-yl)methylideneamino]urea|5-Nitro-2-thiophenecarbaldehyde semicarbazone|5-Nitrothiophene-2-carbaldehyde semicarbazone|[(E)-(5-nitro-2-thienyl)methyleneamino]urea|5-Nitro-2-thiophenecarbaldehyde semicarbazone #|5-Nitrothiophene-2-carboxaldehyde semicarbazone|[(E)-(5-nitrothiophen-2-yl)methylideneamino]urea|2-[(5-nitrothiophen-2-yl)methylidene]hydrazinecarboxamide|N-[(1E)-2-(5-nitro(2-thienyl))-1-azavinyl]aminoamide|UCLHQQFTMJFOKW-FPYGCLRLSA-N
| Molecular Formula | C6H6N4O3S |
|---|---|
| Molecular Weight | 214.02 g/mol |
| LogP | 0.6585 |
| Topological Polar Surface Area | 110.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.01607 |
| Heavy Atoms | 14 |
| Complexity | 386.18326 |
Chemical Identifiers
| CAS Number | 69467-90-9 |
|---|---|
| SMILES | C1=C(SC(=C1)[N+](=O)[O-])/C=N/NC(=O)N |
Product Overview
5-Nitrothiophene-2-carboxaldehyde semicarbazone (CAS 69467-90-9), with molecular formula C6H6N4O3S and molecular weight 214.02 g/mol. IUPAC: [(E)-(5-nitrothiophen-2-yl)methylideneamino]urea.
Chemical Property Profile of 5-Nitrothiophene-2-carboxaldehyde semicarbazone
Property Insights of 5-Nitrothiophene-2-carboxaldehyde semicarbazone
The XLogP value of 0.6585 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitrothiophene-2-carboxaldehyde semicarbazone. The TPSA of 110.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitrothiophene-2-carboxaldehyde semicarbazone. Following Lipinski's Rule of Five, 5-Nitrothiophene-2-carboxaldehyde semicarbazone has 2 hydrogen bond donor(s) and 5 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 5-Nitrothiophene-2-carboxaldehyde semicarbazone?
The CAS number of 5-Nitrothiophene-2-carboxaldehyde semicarbazone is 69467-90-9.
What is the molecular formula of 5-Nitrothiophene-2-carboxaldehyde semicarbazone?
The molecular formula of 5-Nitrothiophene-2-carboxaldehyde semicarbazone is C6H6N4O3S.
What is the molecular weight of 5-Nitrothiophene-2-carboxaldehyde semicarbazone?
The molecular weight of 5-Nitrothiophene-2-carboxaldehyde semicarbazone is 214.02 g/mol.
Where can I buy 5-Nitrothiophene-2-carboxaldehyde semicarbazone?
You can request a quote for 5-Nitrothiophene-2-carboxaldehyde semicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitrothiophene-2-carboxaldehyde semicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitrothiophene-2-carboxaldehyde semicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.