![(2E)-2-[1-(3-oxo-3H-benzo[f]chromen-2-yl)ethylidene]hydrazinecarbothioamide structure](/static/products/300/300698-13-9.png)
(2E)-2-[1-(3-oxo-3H-benzo[f]chromen-2-yl)ethylidene]hydrazinecarbothioamide
TL;DR: (2E)-2-[1-(3-oxo-3H-benzo[f]chromen-2-yl)ethylidene]hydrazinecarbothioamide (CAS 300698-13-9) is a chemical compound with molecular formula C16H13N3O2S and molecular weight 311.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-1-(3-oxobenzo[f]chromen-2-yl)ethylideneamino]thiourea
Also Known As: AE-848/32098009, (2E)-2-[1-(3-oxo-3H-benzo[f]chromen-2-yl)ethylidene]hydrazinecarbothioamide, (E)-2-(1-(3-oxo-3H-benzo[f]chromen-2-yl)ethylidene)hydrazinecarbothioamide
| Molecular Formula | C16H13N3O2S |
|---|---|
| Molecular Weight | 311.07 g/mol |
| LogP | 2.5034 |
| Topological Polar Surface Area | 80.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.07285 |
| Heavy Atoms | 22 |
| Complexity | 975.9445 |
Chemical Identifiers
| CAS Number | 300698-13-9 |
|---|---|
| SMILES | C/C(=N\NC(=S)N)/C1=CC2=C(C=CC3=CC=CC=C32)OC1=O |
Product Overview
(2E)-2-[1-(3-oxo-3H-benzo[f]chromen-2-yl)ethylidene]hydrazinecarbothioamide (CAS 300698-13-9), with molecular formula C16H13N3O2S and molecular weight 311.07 g/mol. IUPAC: [(E)-1-(3-oxobenzo[f]chromen-2-yl)ethylideneamino]thiourea.
Chemical Property Profile of (2E)-2-[1-(3-oxo-3H-benzo[f]chromen-2-yl)ethylidene]hydrazinecarbothioamide
Property Insights of (2E)-2-[1-(3-oxo-3H-benzo[f]chromen-2-yl)ethylidene]hydrazinecarbothioamide
The XLogP value of 2.5034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-[1-(3-oxo-3H-benzo[f]chromen-2-yl)ethylidene]hydrazinecarbothioamide. The TPSA of 80.62 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-[1-(3-oxo-3H-benzo[f]chromen-2-yl)ethylidene]hydrazinecarbothioamide. Following Lipinski's Rule of Five, (2E)-2-[1-(3-oxo-3H-benzo[f]chromen-2-yl)ethylidene]hydrazinecarbothioamide 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 (2E)-2-[1-(3-oxo-3H-benzo[f]chromen-2-yl)ethylidene]hydrazinecarbothioamide?
The CAS number of (2E)-2-[1-(3-oxo-3H-benzo[f]chromen-2-yl)ethylidene]hydrazinecarbothioamide is 300698-13-9.
What is the molecular formula of (2E)-2-[1-(3-oxo-3H-benzo[f]chromen-2-yl)ethylidene]hydrazinecarbothioamide?
The molecular formula of (2E)-2-[1-(3-oxo-3H-benzo[f]chromen-2-yl)ethylidene]hydrazinecarbothioamide is C16H13N3O2S.
What is the molecular weight of (2E)-2-[1-(3-oxo-3H-benzo[f]chromen-2-yl)ethylidene]hydrazinecarbothioamide?
The molecular weight of (2E)-2-[1-(3-oxo-3H-benzo[f]chromen-2-yl)ethylidene]hydrazinecarbothioamide is 311.07 g/mol.
Where can I buy (2E)-2-[1-(3-oxo-3H-benzo[f]chromen-2-yl)ethylidene]hydrazinecarbothioamide?
You can request a quote for (2E)-2-[1-(3-oxo-3H-benzo[f]chromen-2-yl)ethylidene]hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-[1-(3-oxo-3H-benzo[f]chromen-2-yl)ethylidene]hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-[1-(3-oxo-3H-benzo[f]chromen-2-yl)ethylidene]hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.