(E)-N-(furan-2-ylmethyl)-2-(1-(3-nitrophenyl)ethylidene)hydrazinecarbothioamide
TL;DR: (E)-N-(furan-2-ylmethyl)-2-(1-(3-nitrophenyl)ethylidene)hydrazinecarbothioamide (CAS 402946-54-7) is a chemical compound with molecular formula C14H14N4O3S and molecular weight 318.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(furan-2-ylmethyl)-3-[(E)-1-(3-nitrophenyl)ethylideneamino]thiourea
Also Known As: F0856-0446, 3-[(furan-2-yl)methyl]-1-[(E)-[1-(3-nitrophenyl)ethylidene]amino]thiourea, (E)-4-furfuryl-1-[1-(m-nitrophenyl)ethylidene]thiosemicarbazide, (E)-N-(furan-2-ylmethyl)-2-(1-(3-nitrophenyl)ethylidene)hydrazinecarbothioamide, 1-(furan-2-ylmethyl)-3-[(E)-1-(3-nitrophenyl)ethylideneamino]thiourea
| Molecular Formula | C14H14N4O3S |
|---|---|
| Molecular Weight | 318.08 g/mol |
| LogP | 2.5761 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.07867 |
| Heavy Atoms | 22 |
| Complexity | 697.87335 |
Chemical Identifiers
| CAS Number | 402946-54-7 |
|---|---|
| SMILES | C/C(=N\NC(=S)NCC1=CC=CO1)/C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
(E)-N-(furan-2-ylmethyl)-2-(1-(3-nitrophenyl)ethylidene)hydrazinecarbothioamide (CAS 402946-54-7), with molecular formula C14H14N4O3S and molecular weight 318.08 g/mol. IUPAC: 1-(furan-2-ylmethyl)-3-[(E)-1-(3-nitrophenyl)ethylideneamino]thiourea.
Chemical Property Profile of (E)-N-(furan-2-ylmethyl)-2-(1-(3-nitrophenyl)ethylidene)hydrazinecarbothioamide
Property Insights of (E)-N-(furan-2-ylmethyl)-2-(1-(3-nitrophenyl)ethylidene)hydrazinecarbothioamide
The XLogP value of 2.5761 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-(furan-2-ylmethyl)-2-(1-(3-nitrophenyl)ethylidene)hydrazinecarbothioamide. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(furan-2-ylmethyl)-2-(1-(3-nitrophenyl)ethylidene)hydrazinecarbothioamide. Following Lipinski's Rule of Five, (E)-N-(furan-2-ylmethyl)-2-(1-(3-nitrophenyl)ethylidene)hydrazinecarbothioamide 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 (E)-N-(furan-2-ylmethyl)-2-(1-(3-nitrophenyl)ethylidene)hydrazinecarbothioamide?
The CAS number of (E)-N-(furan-2-ylmethyl)-2-(1-(3-nitrophenyl)ethylidene)hydrazinecarbothioamide is 402946-54-7.
What is the molecular formula of (E)-N-(furan-2-ylmethyl)-2-(1-(3-nitrophenyl)ethylidene)hydrazinecarbothioamide?
The molecular formula of (E)-N-(furan-2-ylmethyl)-2-(1-(3-nitrophenyl)ethylidene)hydrazinecarbothioamide is C14H14N4O3S.
What is the molecular weight of (E)-N-(furan-2-ylmethyl)-2-(1-(3-nitrophenyl)ethylidene)hydrazinecarbothioamide?
The molecular weight of (E)-N-(furan-2-ylmethyl)-2-(1-(3-nitrophenyl)ethylidene)hydrazinecarbothioamide is 318.08 g/mol.
Where can I buy (E)-N-(furan-2-ylmethyl)-2-(1-(3-nitrophenyl)ethylidene)hydrazinecarbothioamide?
You can request a quote for (E)-N-(furan-2-ylmethyl)-2-(1-(3-nitrophenyl)ethylidene)hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(furan-2-ylmethyl)-2-(1-(3-nitrophenyl)ethylidene)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(furan-2-ylmethyl)-2-(1-(3-nitrophenyl)ethylidene)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.