5-((Benzylthio)methyl)-5-(mercaptomethyl)-2,4-imidazolidinedione
TL;DR: 5-((Benzylthio)methyl)-5-(mercaptomethyl)-2,4-imidazolidinedione (CAS 142979-97-3) is a chemical compound with molecular formula C12H14N2O2S2 and molecular weight 282.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzylsulfanylmethyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione
Also Known As: 5BzSMe5HSMe hydantoin, 5-((Benzylthio)methyl)-5-(mercaptomethyl)-2,4-imidazolidinedione, 5-(benzylsulfanylmethyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione, 2,4-Imidazolidinedione,5-(mercaptomethyl)-5-[[(phenylmethyl)thio]methyl]-, 5-[(Benzylthio)methyl]-5-(mercaptomethyl)-2,4-imidazolidinedione
| Molecular Formula | C12H14N2O2S2 |
|---|---|
| Molecular Weight | 282.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 282.04968 |
| Heavy Atoms | 18 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 142979-97-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCC2(C(=O)NC(=O)N2)CS |
| InChIKey | CFYCZWGZPDQOTF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-((Benzylthio)methyl)-5-(mercaptomethyl)-2,4-imidazolidinedione (CAS 142979-97-3), with molecular formula C12H14N2O2S2 and molecular weight 282.05 g/mol. IUPAC: 5-(benzylsulfanylmethyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione.
Chemical Property Profile of 5-((Benzylthio)methyl)-5-(mercaptomethyl)-2,4-imidazolidinedione
Property Insights of 5-((Benzylthio)methyl)-5-(mercaptomethyl)-2,4-imidazolidinedione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((Benzylthio)methyl)-5-(mercaptomethyl)-2,4-imidazolidinedione. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((Benzylthio)methyl)-5-(mercaptomethyl)-2,4-imidazolidinedione. Following Lipinski's Rule of Five, 5-((Benzylthio)methyl)-5-(mercaptomethyl)-2,4-imidazolidinedione has 3 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 5-((Benzylthio)methyl)-5-(mercaptomethyl)-2,4-imidazolidinedione?
The CAS number of 5-((Benzylthio)methyl)-5-(mercaptomethyl)-2,4-imidazolidinedione is 142979-97-3.
What is the molecular formula of 5-((Benzylthio)methyl)-5-(mercaptomethyl)-2,4-imidazolidinedione?
The molecular formula of 5-((Benzylthio)methyl)-5-(mercaptomethyl)-2,4-imidazolidinedione is C12H14N2O2S2.
What is the molecular weight of 5-((Benzylthio)methyl)-5-(mercaptomethyl)-2,4-imidazolidinedione?
The molecular weight of 5-((Benzylthio)methyl)-5-(mercaptomethyl)-2,4-imidazolidinedione is 282.05 g/mol.
Where can I buy 5-((Benzylthio)methyl)-5-(mercaptomethyl)-2,4-imidazolidinedione?
You can request a quote for 5-((Benzylthio)methyl)-5-(mercaptomethyl)-2,4-imidazolidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((Benzylthio)methyl)-5-(mercaptomethyl)-2,4-imidazolidinedione?
Yes, KEHONG BIO provides custom synthesis services for 5-((Benzylthio)methyl)-5-(mercaptomethyl)-2,4-imidazolidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.