5-Benzylidene-1,3-dimethyl-2-thioxo-4-imidazolidinone
TL;DR: 5-Benzylidene-1,3-dimethyl-2-thioxo-4-imidazolidinone (CAS 95474-22-9) is a chemical compound with molecular formula C12H12N2OS and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-benzylidene-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
Also Known As: 5-benzylidene-1,3-dimethyl-2-thioxo-4-imidazolidinone, AN-940/13966001, (5Z)-5-benzylidene-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
| Molecular Formula | C12H12N2OS |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 1.7162 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.06703 |
| Heavy Atoms | 16 |
| Complexity | 467.16693 |
Chemical Identifiers
| CAS Number | 95474-22-9 |
|---|---|
| SMILES | CN1/C(=C\C2=CC=CC=C2)/C(=O)N(C1=S)C |
Product Overview
5-Benzylidene-1,3-dimethyl-2-thioxo-4-imidazolidinone (CAS 95474-22-9), with molecular formula C12H12N2OS and molecular weight 232.07 g/mol. IUPAC: (5Z)-5-benzylidene-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 5-Benzylidene-1,3-dimethyl-2-thioxo-4-imidazolidinone
Property Insights of 5-Benzylidene-1,3-dimethyl-2-thioxo-4-imidazolidinone
The XLogP value of 1.7162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzylidene-1,3-dimethyl-2-thioxo-4-imidazolidinone. With a topological polar surface area (TPSA) of 23.55 Ų, 5-Benzylidene-1,3-dimethyl-2-thioxo-4-imidazolidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzylidene-1,3-dimethyl-2-thioxo-4-imidazolidinone has 0 hydrogen bond donor(s) and 2 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-Benzylidene-1,3-dimethyl-2-thioxo-4-imidazolidinone?
The CAS number of 5-Benzylidene-1,3-dimethyl-2-thioxo-4-imidazolidinone is 95474-22-9.
What is the molecular formula of 5-Benzylidene-1,3-dimethyl-2-thioxo-4-imidazolidinone?
The molecular formula of 5-Benzylidene-1,3-dimethyl-2-thioxo-4-imidazolidinone is C12H12N2OS.
What is the molecular weight of 5-Benzylidene-1,3-dimethyl-2-thioxo-4-imidazolidinone?
The molecular weight of 5-Benzylidene-1,3-dimethyl-2-thioxo-4-imidazolidinone is 232.07 g/mol.
Where can I buy 5-Benzylidene-1,3-dimethyl-2-thioxo-4-imidazolidinone?
You can request a quote for 5-Benzylidene-1,3-dimethyl-2-thioxo-4-imidazolidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzylidene-1,3-dimethyl-2-thioxo-4-imidazolidinone?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzylidene-1,3-dimethyl-2-thioxo-4-imidazolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.