1-(Furan-2-ylmethyl)-3-(4-nitrophenyl)thiourea
TL;DR: 1-(Furan-2-ylmethyl)-3-(4-nitrophenyl)thiourea (CAS 78194-72-6) is a chemical compound with molecular formula C12H11N3O3S and molecular weight 277.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(furan-2-ylmethyl)-3-(4-nitrophenyl)thiourea
Also Known As: 1-(furan-2-ylmethyl)-3-(4-nitrophenyl)thiourea, N-(2-furylmethyl)-N'-(4-nitrophenyl)thiourea, N-(2-furylmethyl)-N'-{4-nitrophenyl}thiourea
| Molecular Formula | C12H11N3O3S |
|---|---|
| Molecular Weight | 277.05 g/mol |
| LogP | 2.6744 |
| Topological Polar Surface Area | 80.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.05212 |
| Heavy Atoms | 19 |
| Complexity | 566.41534 |
Chemical Identifiers
| CAS Number | 78194-72-6 |
|---|---|
| SMILES | C1=COC(=C1)CNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
1-(Furan-2-ylmethyl)-3-(4-nitrophenyl)thiourea (CAS 78194-72-6), with molecular formula C12H11N3O3S and molecular weight 277.05 g/mol. IUPAC: 1-(furan-2-ylmethyl)-3-(4-nitrophenyl)thiourea.
Chemical Property Profile of 1-(Furan-2-ylmethyl)-3-(4-nitrophenyl)thiourea
Property Insights of 1-(Furan-2-ylmethyl)-3-(4-nitrophenyl)thiourea
The XLogP value of 2.6744 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Furan-2-ylmethyl)-3-(4-nitrophenyl)thiourea. The TPSA of 80.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Furan-2-ylmethyl)-3-(4-nitrophenyl)thiourea. Following Lipinski's Rule of Five, 1-(Furan-2-ylmethyl)-3-(4-nitrophenyl)thiourea has 2 hydrogen bond donor(s) and 4 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-(Furan-2-ylmethyl)-3-(4-nitrophenyl)thiourea?
The CAS number of 1-(Furan-2-ylmethyl)-3-(4-nitrophenyl)thiourea is 78194-72-6.
What is the molecular formula of 1-(Furan-2-ylmethyl)-3-(4-nitrophenyl)thiourea?
The molecular formula of 1-(Furan-2-ylmethyl)-3-(4-nitrophenyl)thiourea is C12H11N3O3S.
What is the molecular weight of 1-(Furan-2-ylmethyl)-3-(4-nitrophenyl)thiourea?
The molecular weight of 1-(Furan-2-ylmethyl)-3-(4-nitrophenyl)thiourea is 277.05 g/mol.
Where can I buy 1-(Furan-2-ylmethyl)-3-(4-nitrophenyl)thiourea?
You can request a quote for 1-(Furan-2-ylmethyl)-3-(4-nitrophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Furan-2-ylmethyl)-3-(4-nitrophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(Furan-2-ylmethyl)-3-(4-nitrophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.