2-(1-Methyl-3-phenyl-2-propen-1-ylidene)hydrazinecarbothioamide
TL;DR: 2-(1-Methyl-3-phenyl-2-propen-1-ylidene)hydrazinecarbothioamide (CAS 81226-84-8) 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.
(4-phenylbut-3-en-2-ylideneamino)thiourea
Also Known As: Benzalacetonthiosemicarbazon, Benzylidenaceton-thiosemicarbazon, (4-phenylbut-3-en-2-ylideneamino)thiourea, NCI60_002619, 2-(1-Methyl-3-phenyl-2-propen-1-ylidene)hydrazinecarbothioamide
| Molecular Formula | C11H13N3S |
|---|---|
| Molecular Weight | 219.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08302 |
| Heavy Atoms | 15 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 81226-84-8 |
|---|---|
| SMILES | CC(=NNC(=S)N)C=CC1=CC=CC=C1 |
| InChIKey | AIVYBZNYDAYFOK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1-Methyl-3-phenyl-2-propen-1-ylidene)hydrazinecarbothioamide (CAS 81226-84-8), with molecular formula C11H13N3S and molecular weight 219.08 g/mol. IUPAC: (4-phenylbut-3-en-2-ylideneamino)thiourea.
Chemical Property Profile of 2-(1-Methyl-3-phenyl-2-propen-1-ylidene)hydrazinecarbothioamide
Property Insights of 2-(1-Methyl-3-phenyl-2-propen-1-ylidene)hydrazinecarbothioamide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Methyl-3-phenyl-2-propen-1-ylidene)hydrazinecarbothioamide. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Methyl-3-phenyl-2-propen-1-ylidene)hydrazinecarbothioamide. Following Lipinski's Rule of Five, 2-(1-Methyl-3-phenyl-2-propen-1-ylidene)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 2-(1-Methyl-3-phenyl-2-propen-1-ylidene)hydrazinecarbothioamide?
The CAS number of 2-(1-Methyl-3-phenyl-2-propen-1-ylidene)hydrazinecarbothioamide is 81226-84-8.
What is the molecular formula of 2-(1-Methyl-3-phenyl-2-propen-1-ylidene)hydrazinecarbothioamide?
The molecular formula of 2-(1-Methyl-3-phenyl-2-propen-1-ylidene)hydrazinecarbothioamide is C11H13N3S.
What is the molecular weight of 2-(1-Methyl-3-phenyl-2-propen-1-ylidene)hydrazinecarbothioamide?
The molecular weight of 2-(1-Methyl-3-phenyl-2-propen-1-ylidene)hydrazinecarbothioamide is 219.08 g/mol.
Where can I buy 2-(1-Methyl-3-phenyl-2-propen-1-ylidene)hydrazinecarbothioamide?
You can request a quote for 2-(1-Methyl-3-phenyl-2-propen-1-ylidene)hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Methyl-3-phenyl-2-propen-1-ylidene)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Methyl-3-phenyl-2-propen-1-ylidene)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.