![[(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]thiourea structure](/static/products/540/54097-74-4.png)
[(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]thiourea
TL;DR: [(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]thiourea (CAS 54097-74-4) is a chemical compound with molecular formula C11H19N3S and molecular weight 225.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]thiourea
Also Known As: Citral thiosemicarbazone, 3,7-Dimethyl-2,6-octadienal thiosemicarbazone, 3-03-00-00318 (Beilstein Handbook Reference), 2,6-OCTADIENAL, 3,7-DIMETHYL-, THIOSEMICARBAZONE, Hydrazinecarbothioamide, 2-(3,7-dimethyl-2,6-octadienylidene)-
| Molecular Formula | C11H19N3S |
|---|---|
| Molecular Weight | 225.13 g/mol |
| LogP | 2.4981 |
| Topological Polar Surface Area | 50.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 225.12997 |
| Heavy Atoms | 15 |
| Complexity | 286.20816 |
Chemical Identifiers
| CAS Number | 54097-74-4 |
|---|---|
| SMILES | CC(=CCC/C(=C/C=N\NC(=S)N)/C)C |
Product Overview
[(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]thiourea (CAS 54097-74-4), with molecular formula C11H19N3S and molecular weight 225.13 g/mol. IUPAC: [(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]thiourea.
Chemical Property Profile of [(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]thiourea
Property Insights of [(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]thiourea
The XLogP value of 2.4981 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]thiourea. With a topological polar surface area (TPSA) of 50.41 Ų, [(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]thiourea 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 [(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]thiourea?
The CAS number of [(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]thiourea is 54097-74-4.
What is the molecular formula of [(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]thiourea?
The molecular formula of [(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]thiourea is C11H19N3S.
What is the molecular weight of [(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]thiourea?
The molecular weight of [(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]thiourea is 225.13 g/mol.
Where can I buy [(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]thiourea?
You can request a quote for [(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for [(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.