(5E)-5-(thiophen-3-ylmethylidene)-2-thioxoimidazolidin-4-one
TL;DR: (5E)-5-(thiophen-3-ylmethylidene)-2-thioxoimidazolidin-4-one (CAS 312277-89-7) is a chemical compound with molecular formula C8H6N2OS2 and molecular weight 209.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one
Also Known As: SDCCGMLS-0064845.P001, (5E)-5-(thiophen-3-ylmethylidene)-2-thioxoimidazolidin-4-one, J2.338.631C, AB00094769-01, 2-Thioxo-5-(3-thienylmethylene)imidazolidine-4-one
| Molecular Formula | C8H6N2OS2 |
|---|---|
| Molecular Weight | 209.99 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.99216 |
| Heavy Atoms | 13 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 312277-89-7 |
|---|---|
| SMILES | C1=CSC=C1/C=C/2\C(=O)NC(=S)N2 |
| InChIKey | BOKKBYFFNHWOJO-ZZXKWVIFSA-N |
Product Overview
(5E)-5-(thiophen-3-ylmethylidene)-2-thioxoimidazolidin-4-one (CAS 312277-89-7), with molecular formula C8H6N2OS2 and molecular weight 209.99 g/mol. IUPAC: (5E)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one.
Chemical Property Profile of (5E)-5-(thiophen-3-ylmethylidene)-2-thioxoimidazolidin-4-one
Property Insights of (5E)-5-(thiophen-3-ylmethylidene)-2-thioxoimidazolidin-4-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-5-(thiophen-3-ylmethylidene)-2-thioxoimidazolidin-4-one. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-(thiophen-3-ylmethylidene)-2-thioxoimidazolidin-4-one. Following Lipinski's Rule of Five, (5E)-5-(thiophen-3-ylmethylidene)-2-thioxoimidazolidin-4-one 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 (5E)-5-(thiophen-3-ylmethylidene)-2-thioxoimidazolidin-4-one?
The CAS number of (5E)-5-(thiophen-3-ylmethylidene)-2-thioxoimidazolidin-4-one is 312277-89-7.
What is the molecular formula of (5E)-5-(thiophen-3-ylmethylidene)-2-thioxoimidazolidin-4-one?
The molecular formula of (5E)-5-(thiophen-3-ylmethylidene)-2-thioxoimidazolidin-4-one is C8H6N2OS2.
What is the molecular weight of (5E)-5-(thiophen-3-ylmethylidene)-2-thioxoimidazolidin-4-one?
The molecular weight of (5E)-5-(thiophen-3-ylmethylidene)-2-thioxoimidazolidin-4-one is 209.99 g/mol.
Where can I buy (5E)-5-(thiophen-3-ylmethylidene)-2-thioxoimidazolidin-4-one?
You can request a quote for (5E)-5-(thiophen-3-ylmethylidene)-2-thioxoimidazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-5-(thiophen-3-ylmethylidene)-2-thioxoimidazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-(thiophen-3-ylmethylidene)-2-thioxoimidazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.