2-Furaldehyde, 4-phenylthiosemicarbazone
TL;DR: 2-Furaldehyde, 4-phenylthiosemicarbazone (CAS 31397-09-8) is a chemical compound with molecular formula C12H11N3OS and molecular weight 245.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-furan-2-ylmethylideneamino]-3-phenylthiourea
Also Known As: 2-Furaldehyde, 4-phenylthiosemicarbazone, Furfural-thiosemicarbazone,N-Ph-, AI3-03757, 2-furaldehyde N-phenylthiosemicarbazone, 2-furaldehyde-4-phenylthiosemicarbazone
| Molecular Formula | C12H11N3OS |
|---|---|
| Molecular Weight | 245.06 g/mol |
| LogP | 2.6001 |
| Topological Polar Surface Area | 49.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.06229 |
| Heavy Atoms | 17 |
| Complexity | 493.734 |
Chemical Identifiers
| CAS Number | 31397-09-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)N/N=C/C2=CC=CO2 |
Product Overview
2-Furaldehyde, 4-phenylthiosemicarbazone (CAS 31397-09-8), with molecular formula C12H11N3OS and molecular weight 245.06 g/mol. IUPAC: 1-[(E)-furan-2-ylmethylideneamino]-3-phenylthiourea.
Chemical Property Profile of 2-Furaldehyde, 4-phenylthiosemicarbazone
Property Insights of 2-Furaldehyde, 4-phenylthiosemicarbazone
The XLogP value of 2.6001 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Furaldehyde, 4-phenylthiosemicarbazone. With a topological polar surface area (TPSA) of 49.56 Ų, 2-Furaldehyde, 4-phenylthiosemicarbazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Furaldehyde, 4-phenylthiosemicarbazone has 2 hydrogen bond donor(s) and 3 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 2-Furaldehyde, 4-phenylthiosemicarbazone?
The CAS number of 2-Furaldehyde, 4-phenylthiosemicarbazone is 31397-09-8.
What is the molecular formula of 2-Furaldehyde, 4-phenylthiosemicarbazone?
The molecular formula of 2-Furaldehyde, 4-phenylthiosemicarbazone is C12H11N3OS.
What is the molecular weight of 2-Furaldehyde, 4-phenylthiosemicarbazone?
The molecular weight of 2-Furaldehyde, 4-phenylthiosemicarbazone is 245.06 g/mol.
Where can I buy 2-Furaldehyde, 4-phenylthiosemicarbazone?
You can request a quote for 2-Furaldehyde, 4-phenylthiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Furaldehyde, 4-phenylthiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 2-Furaldehyde, 4-phenylthiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.