(E)-2-((7-chloro-4-oxo-4H-chromen-3-yl)methylene)hydrazinecarbothioamide
TL;DR: (E)-2-((7-chloro-4-oxo-4H-chromen-3-yl)methylene)hydrazinecarbothioamide (CAS 799802-16-7) is a chemical compound with molecular formula C11H8ClN3O2S and molecular weight 281.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-(7-chloro-4-oxochromen-3-yl)methylideneamino]thiourea
Also Known As: [(E)-(7-chloro-4-oxochromen-3-yl)methylideneamino]thiourea|(E)-2-((7-chloro-4-oxo-4H-chromen-3-yl)methylene)hydrazinecarbothioamide|MLS000589897|SMR000217132
| Molecular Formula | C11H8ClN3O2S |
|---|---|
| Molecular Weight | 281.00 g/mol |
| LogP | 1.6135 |
| Topological Polar Surface Area | 80.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.00256 |
| Heavy Atoms | 18 |
| Complexity | 696.2381 |
Chemical Identifiers
| CAS Number | 799802-16-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)OC=C(C2=O)/C=N/NC(=S)N |
Product Overview
(E)-2-((7-chloro-4-oxo-4H-chromen-3-yl)methylene)hydrazinecarbothioamide (CAS 799802-16-7), with molecular formula C11H8ClN3O2S and molecular weight 281.00 g/mol. IUPAC: [(E)-(7-chloro-4-oxochromen-3-yl)methylideneamino]thiourea.
Chemical Property Profile of (E)-2-((7-chloro-4-oxo-4H-chromen-3-yl)methylene)hydrazinecarbothioamide
Property Insights of (E)-2-((7-chloro-4-oxo-4H-chromen-3-yl)methylene)hydrazinecarbothioamide
The XLogP value of 1.6135 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-((7-chloro-4-oxo-4H-chromen-3-yl)methylene)hydrazinecarbothioamide. The TPSA of 80.62 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((7-chloro-4-oxo-4H-chromen-3-yl)methylene)hydrazinecarbothioamide. Following Lipinski's Rule of Five, (E)-2-((7-chloro-4-oxo-4H-chromen-3-yl)methylene)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 (E)-2-((7-chloro-4-oxo-4H-chromen-3-yl)methylene)hydrazinecarbothioamide?
The CAS number of (E)-2-((7-chloro-4-oxo-4H-chromen-3-yl)methylene)hydrazinecarbothioamide is 799802-16-7.
What is the molecular formula of (E)-2-((7-chloro-4-oxo-4H-chromen-3-yl)methylene)hydrazinecarbothioamide?
The molecular formula of (E)-2-((7-chloro-4-oxo-4H-chromen-3-yl)methylene)hydrazinecarbothioamide is C11H8ClN3O2S.
What is the molecular weight of (E)-2-((7-chloro-4-oxo-4H-chromen-3-yl)methylene)hydrazinecarbothioamide?
The molecular weight of (E)-2-((7-chloro-4-oxo-4H-chromen-3-yl)methylene)hydrazinecarbothioamide is 281.00 g/mol.
Where can I buy (E)-2-((7-chloro-4-oxo-4H-chromen-3-yl)methylene)hydrazinecarbothioamide?
You can request a quote for (E)-2-((7-chloro-4-oxo-4H-chromen-3-yl)methylene)hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-((7-chloro-4-oxo-4H-chromen-3-yl)methylene)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((7-chloro-4-oxo-4H-chromen-3-yl)methylene)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.