![[1-(2-Oxochromen-3-yl)ethylideneamino]thiourea structure](/static/products/528/52831-78-4.png)
[1-(2-Oxochromen-3-yl)ethylideneamino]thiourea
TL;DR: [1-(2-Oxochromen-3-yl)ethylideneamino]thiourea (CAS 52831-78-4) is a chemical compound with molecular formula C12H11N3O2S and molecular weight 261.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(2-oxochromen-3-yl)ethylideneamino]thiourea
Also Known As: [1-(2-oxochromen-3-yl)ethylideneamino]thiourea|1-(1-(2-oxo-2H-chromen-3-yl)ethylidene)thiosemicarbazide
| Molecular Formula | C12H11N3O2S |
|---|---|
| Molecular Weight | 261.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.0572 |
| Heavy Atoms | 18 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 52831-78-4 |
|---|---|
| SMILES | CC(=NNC(=S)N)C1=CC2=CC=CC=C2OC1=O |
| InChIKey | YWRLQMUSONFVRY-UHFFFAOYSA-N |
Product Overview
[1-(2-Oxochromen-3-yl)ethylideneamino]thiourea (CAS 52831-78-4), with molecular formula C12H11N3O2S and molecular weight 261.06 g/mol. IUPAC: [1-(2-oxochromen-3-yl)ethylideneamino]thiourea.
Chemical Property Profile of [1-(2-Oxochromen-3-yl)ethylideneamino]thiourea
Property Insights of [1-(2-Oxochromen-3-yl)ethylideneamino]thiourea
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1-(2-Oxochromen-3-yl)ethylideneamino]thiourea. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-(2-Oxochromen-3-yl)ethylideneamino]thiourea. Following Lipinski's Rule of Five, [1-(2-Oxochromen-3-yl)ethylideneamino]thiourea 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 [1-(2-Oxochromen-3-yl)ethylideneamino]thiourea?
The CAS number of [1-(2-Oxochromen-3-yl)ethylideneamino]thiourea is 52831-78-4.
What is the molecular formula of [1-(2-Oxochromen-3-yl)ethylideneamino]thiourea?
The molecular formula of [1-(2-Oxochromen-3-yl)ethylideneamino]thiourea is C12H11N3O2S.
What is the molecular weight of [1-(2-Oxochromen-3-yl)ethylideneamino]thiourea?
The molecular weight of [1-(2-Oxochromen-3-yl)ethylideneamino]thiourea is 261.06 g/mol.
Where can I buy [1-(2-Oxochromen-3-yl)ethylideneamino]thiourea?
You can request a quote for [1-(2-Oxochromen-3-yl)ethylideneamino]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(2-Oxochromen-3-yl)ethylideneamino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for [1-(2-Oxochromen-3-yl)ethylideneamino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.