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5-[(dimethylamino)methylene]-3-phenyl-2-thioxotetrahydro-4H-imidazol-4-one
TL;DR: 5-[(dimethylamino)methylene]-3-phenyl-2-thioxotetrahydro-4H-imidazol-4-one (CAS 325153-22-8) is a chemical compound with molecular formula C12H13N3OS and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(dimethylaminomethylidene)-3-phenyl-2-sulfanylideneimidazolidin-4-one
Also Known As: 5-[(dimethylamino)methylene]-3-phenyl-2-thioxotetrahydro-4H-imidazol-4-one, J1.737.448F, (5Z)-5-[(dimethylamino)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one, (5Z)-5-(dimethylaminomethylidene)-3-phenyl-2-sulfanylideneimidazolidin-4-one, (5Z)-5-(dimethylaminomethylene)-3-phenyl-2-thioxo-imidazolidin-4-one
| Molecular Formula | C12H13N3OS |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 1.3107 |
| Topological Polar Surface Area | 35.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.07793 |
| Heavy Atoms | 17 |
| Complexity | 481.78394 |
Chemical Identifiers
| CAS Number | 325153-22-8 |
|---|---|
| SMILES | CN(C)/C=C\1/C(=O)N(C(=S)N1)C2=CC=CC=C2 |
Product Overview
5-[(dimethylamino)methylene]-3-phenyl-2-thioxotetrahydro-4H-imidazol-4-one (CAS 325153-22-8), with molecular formula C12H13N3OS and molecular weight 247.08 g/mol. IUPAC: (5Z)-5-(dimethylaminomethylidene)-3-phenyl-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 5-[(dimethylamino)methylene]-3-phenyl-2-thioxotetrahydro-4H-imidazol-4-one
Property Insights of 5-[(dimethylamino)methylene]-3-phenyl-2-thioxotetrahydro-4H-imidazol-4-one
The XLogP value of 1.3107 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(dimethylamino)methylene]-3-phenyl-2-thioxotetrahydro-4H-imidazol-4-one. With a topological polar surface area (TPSA) of 35.58 Ų, 5-[(dimethylamino)methylene]-3-phenyl-2-thioxotetrahydro-4H-imidazol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(dimethylamino)methylene]-3-phenyl-2-thioxotetrahydro-4H-imidazol-4-one has 1 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 5-[(dimethylamino)methylene]-3-phenyl-2-thioxotetrahydro-4H-imidazol-4-one?
The CAS number of 5-[(dimethylamino)methylene]-3-phenyl-2-thioxotetrahydro-4H-imidazol-4-one is 325153-22-8.
What is the molecular formula of 5-[(dimethylamino)methylene]-3-phenyl-2-thioxotetrahydro-4H-imidazol-4-one?
The molecular formula of 5-[(dimethylamino)methylene]-3-phenyl-2-thioxotetrahydro-4H-imidazol-4-one is C12H13N3OS.
What is the molecular weight of 5-[(dimethylamino)methylene]-3-phenyl-2-thioxotetrahydro-4H-imidazol-4-one?
The molecular weight of 5-[(dimethylamino)methylene]-3-phenyl-2-thioxotetrahydro-4H-imidazol-4-one is 247.08 g/mol.
Where can I buy 5-[(dimethylamino)methylene]-3-phenyl-2-thioxotetrahydro-4H-imidazol-4-one?
You can request a quote for 5-[(dimethylamino)methylene]-3-phenyl-2-thioxotetrahydro-4H-imidazol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(dimethylamino)methylene]-3-phenyl-2-thioxotetrahydro-4H-imidazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-[(dimethylamino)methylene]-3-phenyl-2-thioxotetrahydro-4H-imidazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.