2-(Carbamothioylhydrazinylidene)-4-phenylbut-3-enoic acid
TL;DR: 2-(Carbamothioylhydrazinylidene)-4-phenylbut-3-enoic acid (CAS 6961-77-9) is a chemical compound with molecular formula C11H11N3O2S and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(carbamothioylhydrazinylidene)-4-phenylbut-3-enoic acid
Also Known As: 2-(carbamothioylhydrazinylidene)-4-phenylbut-3-enoic acid, 3-Butenoicacid, 2-[2-(aminothioxomethyl)hydrazinylidene]-4-phenyl-, 3-Butenoicacid,2-[2-(aminothioxomethyl)hydrazinylidene]-4-phenyl-
| Molecular Formula | C11H11N3O2S |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 0.9736 |
| Topological Polar Surface Area | 87.71 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.0572 |
| Heavy Atoms | 17 |
| Complexity | 468.86472 |
Chemical Identifiers
| CAS Number | 6961-77-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC(=NNC(=S)N)C(=O)O |
Product Overview
2-(Carbamothioylhydrazinylidene)-4-phenylbut-3-enoic acid (CAS 6961-77-9), with molecular formula C11H11N3O2S and molecular weight 249.06 g/mol. IUPAC: 2-(carbamothioylhydrazinylidene)-4-phenylbut-3-enoic acid.
Chemical Property Profile of 2-(Carbamothioylhydrazinylidene)-4-phenylbut-3-enoic acid
Property Insights of 2-(Carbamothioylhydrazinylidene)-4-phenylbut-3-enoic acid
The XLogP value of 0.9736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Carbamothioylhydrazinylidene)-4-phenylbut-3-enoic acid. The TPSA of 87.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Carbamothioylhydrazinylidene)-4-phenylbut-3-enoic acid. Following Lipinski's Rule of Five, 2-(Carbamothioylhydrazinylidene)-4-phenylbut-3-enoic acid has 3 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 2-(Carbamothioylhydrazinylidene)-4-phenylbut-3-enoic acid?
The CAS number of 2-(Carbamothioylhydrazinylidene)-4-phenylbut-3-enoic acid is 6961-77-9.
What is the molecular formula of 2-(Carbamothioylhydrazinylidene)-4-phenylbut-3-enoic acid?
The molecular formula of 2-(Carbamothioylhydrazinylidene)-4-phenylbut-3-enoic acid is C11H11N3O2S.
What is the molecular weight of 2-(Carbamothioylhydrazinylidene)-4-phenylbut-3-enoic acid?
The molecular weight of 2-(Carbamothioylhydrazinylidene)-4-phenylbut-3-enoic acid is 249.06 g/mol.
Where can I buy 2-(Carbamothioylhydrazinylidene)-4-phenylbut-3-enoic acid?
You can request a quote for 2-(Carbamothioylhydrazinylidene)-4-phenylbut-3-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Carbamothioylhydrazinylidene)-4-phenylbut-3-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Carbamothioylhydrazinylidene)-4-phenylbut-3-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.