![3-[(1E)-(dimethylamino)methylidene]-1-(4-fluorophenyl)thiourea structure](/static/products/1661/1661847-01-3.webp)
3-[(1E)-(dimethylamino)methylidene]-1-(4-fluorophenyl)thiourea
TL;DR: 3-[(1E)-(dimethylamino)methylidene]-1-(4-fluorophenyl)thiourea (CAS 1661847-01-3) is a chemical compound with molecular formula C10H12FN3S and molecular weight 225.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(dimethylaminomethylidene)-3-(4-fluorophenyl)thiourea
Also Known As: 3-[(1E)-(dimethylamino)methylidene]-1-(4-fluorophenyl)thiourea, N-[(dimethylamino)methylene]-N'-(4-fluorophenyl)thiourea, 1-(dimethylaminomethylene)-3-(4-fluorophenyl)thiourea, 1-(dimethylaminomethylidene)-3-(4-fluorophenyl)thiourea, 3-[(dimethylamino)methylidene]-1-(4-fluorophenyl)thiourea
| Molecular Formula | C10H12FN3S |
|---|---|
| Molecular Weight | 225.07 g/mol |
| LogP | 2.1124 |
| Topological Polar Surface Area | 27.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.0736 |
| Heavy Atoms | 15 |
| Complexity | 359.43518 |
Chemical Identifiers
| CAS Number | 1661847-01-3 |
|---|---|
| SMILES | CN(C)C=NC(=S)NC1=CC=C(C=C1)F |
Product Overview
3-[(1E)-(dimethylamino)methylidene]-1-(4-fluorophenyl)thiourea (CAS 1661847-01-3), with molecular formula C10H12FN3S and molecular weight 225.07 g/mol. IUPAC: 1-(dimethylaminomethylidene)-3-(4-fluorophenyl)thiourea.
Chemical Property Profile of 3-[(1E)-(dimethylamino)methylidene]-1-(4-fluorophenyl)thiourea
Property Insights of 3-[(1E)-(dimethylamino)methylidene]-1-(4-fluorophenyl)thiourea
The XLogP value of 2.1124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(1E)-(dimethylamino)methylidene]-1-(4-fluorophenyl)thiourea. With a topological polar surface area (TPSA) of 27.63 Ų, 3-[(1E)-(dimethylamino)methylidene]-1-(4-fluorophenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(1E)-(dimethylamino)methylidene]-1-(4-fluorophenyl)thiourea has 1 hydrogen bond donor(s) and 1 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 3-[(1E)-(dimethylamino)methylidene]-1-(4-fluorophenyl)thiourea?
The CAS number of 3-[(1E)-(dimethylamino)methylidene]-1-(4-fluorophenyl)thiourea is 1661847-01-3.
What is the molecular formula of 3-[(1E)-(dimethylamino)methylidene]-1-(4-fluorophenyl)thiourea?
The molecular formula of 3-[(1E)-(dimethylamino)methylidene]-1-(4-fluorophenyl)thiourea is C10H12FN3S.
What is the molecular weight of 3-[(1E)-(dimethylamino)methylidene]-1-(4-fluorophenyl)thiourea?
The molecular weight of 3-[(1E)-(dimethylamino)methylidene]-1-(4-fluorophenyl)thiourea is 225.07 g/mol.
Where can I buy 3-[(1E)-(dimethylamino)methylidene]-1-(4-fluorophenyl)thiourea?
You can request a quote for 3-[(1E)-(dimethylamino)methylidene]-1-(4-fluorophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(1E)-(dimethylamino)methylidene]-1-(4-fluorophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1E)-(dimethylamino)methylidene]-1-(4-fluorophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.