![S-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl] 5-nitrofuran-2-carbothioate structure](/static/products/172/1727-85-1.png)
S-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl] 5-nitrofuran-2-carbothioate
TL;DR: S-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl] 5-nitrofuran-2-carbothioate (CAS 1727-85-1) is a chemical compound with molecular formula C10H12N4O4S and molecular weight 284.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl] 5-nitrofuran-2-carbothioate
Also Known As: (5-nitrofuran-2-yl)carbonyl N'-butan-2-ylidenecarbamohydrazonothioate, 5-Nitrofuran-2-carbonyl N'-[(2E)-butan-2-ylidene]carbamohydrazonothioate
| Molecular Formula | C10H12N4O4S |
|---|---|
| Molecular Weight | 284.06 g/mol |
| LogP | 2.1618 |
| Topological Polar Surface Area | 124.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.05792 |
| Heavy Atoms | 19 |
| Complexity | 549.4795 |
Chemical Identifiers
| CAS Number | 1727-85-1 |
|---|---|
| SMILES | CC/C(=N/N=C(\N)/SC(=O)C1=CC=C(O1)[N+](=O)[O-])/C |
Product Overview
S-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl] 5-nitrofuran-2-carbothioate (CAS 1727-85-1), with molecular formula C10H12N4O4S and molecular weight 284.06 g/mol. IUPAC: S-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl] 5-nitrofuran-2-carbothioate.
Chemical Property Profile of S-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl] 5-nitrofuran-2-carbothioate
Property Insights of S-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl] 5-nitrofuran-2-carbothioate
The XLogP value of 2.1618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl] 5-nitrofuran-2-carbothioate. The TPSA of 124.09 Ų falls within the moderate polarity range, balancing permeability and solubility for S-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl] 5-nitrofuran-2-carbothioate. Following Lipinski's Rule of Five, S-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl] 5-nitrofuran-2-carbothioate 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 S-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl] 5-nitrofuran-2-carbothioate?
The CAS number of S-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl] 5-nitrofuran-2-carbothioate is 1727-85-1.
What is the molecular formula of S-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl] 5-nitrofuran-2-carbothioate?
The molecular formula of S-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl] 5-nitrofuran-2-carbothioate is C10H12N4O4S.
What is the molecular weight of S-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl] 5-nitrofuran-2-carbothioate?
The molecular weight of S-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl] 5-nitrofuran-2-carbothioate is 284.06 g/mol.
Where can I buy S-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl] 5-nitrofuran-2-carbothioate?
You can request a quote for S-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl] 5-nitrofuran-2-carbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl] 5-nitrofuran-2-carbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl] 5-nitrofuran-2-carbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.