(E,E)-2-(1-Methyl-3-phenyl-2-propenylidene)hydrazinecarbothioamide
TL;DR: (E,E)-2-(1-Methyl-3-phenyl-2-propenylidene)hydrazinecarbothioamide (CAS 6699-22-5) is a chemical compound with molecular formula C11H13N3S and molecular weight 219.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]thiourea
Also Known As: Probes1_000386, Probes2_000401, benzalacetone thiosemicarbazone, 4-phenyl-3-buten-2-one thiosemicarbazone, Hydrazinecarbothioamide, (?,E)-
| Molecular Formula | C11H13N3S |
|---|---|
| Molecular Weight | 219.08 g/mol |
| LogP | 1.9089 |
| Topological Polar Surface Area | 50.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08302 |
| Heavy Atoms | 15 |
| Complexity | 382.0793 |
Chemical Identifiers
| CAS Number | 6699-22-5 |
|---|---|
| SMILES | C/C(=N\NC(=S)N)/C=C/C1=CC=CC=C1 |
Product Overview
(E,E)-2-(1-Methyl-3-phenyl-2-propenylidene)hydrazinecarbothioamide (CAS 6699-22-5), with molecular formula C11H13N3S and molecular weight 219.08 g/mol. IUPAC: [(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]thiourea.
Chemical Property Profile of (E,E)-2-(1-Methyl-3-phenyl-2-propenylidene)hydrazinecarbothioamide
Property Insights of (E,E)-2-(1-Methyl-3-phenyl-2-propenylidene)hydrazinecarbothioamide
The XLogP value of 1.9089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E,E)-2-(1-Methyl-3-phenyl-2-propenylidene)hydrazinecarbothioamide. With a topological polar surface area (TPSA) of 50.41 Ų, (E,E)-2-(1-Methyl-3-phenyl-2-propenylidene)hydrazinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E,E)-2-(1-Methyl-3-phenyl-2-propenylidene)hydrazinecarbothioamide has 2 hydrogen bond donor(s) and 2 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,E)-2-(1-Methyl-3-phenyl-2-propenylidene)hydrazinecarbothioamide?
The CAS number of (E,E)-2-(1-Methyl-3-phenyl-2-propenylidene)hydrazinecarbothioamide is 6699-22-5.
What is the molecular formula of (E,E)-2-(1-Methyl-3-phenyl-2-propenylidene)hydrazinecarbothioamide?
The molecular formula of (E,E)-2-(1-Methyl-3-phenyl-2-propenylidene)hydrazinecarbothioamide is C11H13N3S.
What is the molecular weight of (E,E)-2-(1-Methyl-3-phenyl-2-propenylidene)hydrazinecarbothioamide?
The molecular weight of (E,E)-2-(1-Methyl-3-phenyl-2-propenylidene)hydrazinecarbothioamide is 219.08 g/mol.
Where can I buy (E,E)-2-(1-Methyl-3-phenyl-2-propenylidene)hydrazinecarbothioamide?
You can request a quote for (E,E)-2-(1-Methyl-3-phenyl-2-propenylidene)hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E,E)-2-(1-Methyl-3-phenyl-2-propenylidene)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for (E,E)-2-(1-Methyl-3-phenyl-2-propenylidene)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.