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(Z)-5-(Benzo[d][1,3]dioxol-5-ylmethylene)-2-thioxoimidazolidin-4-one
TL;DR: (Z)-5-(Benzo[d][1,3]dioxol-5-ylmethylene)-2-thioxoimidazolidin-4-one (CAS 110830-17-6) is a chemical compound with molecular formula C11H8N2O3S and molecular weight 248.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
Also Known As: 9W-0235, (Z)-5-(Benzo[d][1,3]dioxol-5-ylmethylene)-2-thioxoimidazolidin-4-one, (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-sulfanylideneimidazolidin-4-one, (5Z)-5-[(1,3-dioxaindan-5-yl)methylidene]-2-sulfanylideneimidazolidin-4-one, (5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
| Molecular Formula | C11H8N2O3S |
|---|---|
| Molecular Weight | 248.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.02556 |
| Heavy Atoms | 17 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 110830-17-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=O)NC(=S)N3 |
| InChIKey | PKAJHHBFVYAMMP-CLTKARDFSA-N |
Product Overview
(Z)-5-(Benzo[d][1,3]dioxol-5-ylmethylene)-2-thioxoimidazolidin-4-one (CAS 110830-17-6), with molecular formula C11H8N2O3S and molecular weight 248.03 g/mol. IUPAC: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of (Z)-5-(Benzo[d][1,3]dioxol-5-ylmethylene)-2-thioxoimidazolidin-4-one
Property Insights of (Z)-5-(Benzo[d][1,3]dioxol-5-ylmethylene)-2-thioxoimidazolidin-4-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-5-(Benzo[d][1,3]dioxol-5-ylmethylene)-2-thioxoimidazolidin-4-one. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-5-(Benzo[d][1,3]dioxol-5-ylmethylene)-2-thioxoimidazolidin-4-one. Following Lipinski's Rule of Five, (Z)-5-(Benzo[d][1,3]dioxol-5-ylmethylene)-2-thioxoimidazolidin-4-one has 2 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 (Z)-5-(Benzo[d][1,3]dioxol-5-ylmethylene)-2-thioxoimidazolidin-4-one?
The CAS number of (Z)-5-(Benzo[d][1,3]dioxol-5-ylmethylene)-2-thioxoimidazolidin-4-one is 110830-17-6.
What is the molecular formula of (Z)-5-(Benzo[d][1,3]dioxol-5-ylmethylene)-2-thioxoimidazolidin-4-one?
The molecular formula of (Z)-5-(Benzo[d][1,3]dioxol-5-ylmethylene)-2-thioxoimidazolidin-4-one is C11H8N2O3S.
What is the molecular weight of (Z)-5-(Benzo[d][1,3]dioxol-5-ylmethylene)-2-thioxoimidazolidin-4-one?
The molecular weight of (Z)-5-(Benzo[d][1,3]dioxol-5-ylmethylene)-2-thioxoimidazolidin-4-one is 248.03 g/mol.
Where can I buy (Z)-5-(Benzo[d][1,3]dioxol-5-ylmethylene)-2-thioxoimidazolidin-4-one?
You can request a quote for (Z)-5-(Benzo[d][1,3]dioxol-5-ylmethylene)-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 (Z)-5-(Benzo[d][1,3]dioxol-5-ylmethylene)-2-thioxoimidazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-5-(Benzo[d][1,3]dioxol-5-ylmethylene)-2-thioxoimidazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.