![(1-Azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino)thiourea structure](/static/products/1010/101077-39-8.webp)
(1-Azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino)thiourea
TL;DR: (1-Azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino)thiourea (CAS 101077-39-8) is a chemical compound with molecular formula C13H16N4S and molecular weight 260.10956 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino)thiourea
Also Known As: 1-Ketojulolidine thiosemicarbazone
Technical Specifications
| Molecular Formula | C13H16N4S |
| Molecular Weight | 260.10956 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 85.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.10956 Da |
| Heavy Atoms | 18 |
| Complexity | 368.0 |
| SMILES | C1CC2=C3C(=CC=C2)C(=NNC(=S)N)CCN3C1 |
| InChIKey | SVNVKRXDKDLTEB-UHFFFAOYSA-N |
Chemical Property Profile of (1-Azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino)thiourea
Property Insights of (1-Azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino)thiourea
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino)thiourea. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-Azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino)thiourea. Following Lipinski's Rule of Five, (1-Azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino)thiourea has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (1-Azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino)thiourea?
The CAS number of (1-Azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino)thiourea is 101077-39-8.
What is the molecular formula of (1-Azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino)thiourea?
The molecular formula of (1-Azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino)thiourea is C13H16N4S.
What is the molecular weight of (1-Azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino)thiourea?
The molecular weight of (1-Azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino)thiourea is 260.10956 g/mol.
Where can I buy (1-Azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino)thiourea?
You can request a quote for (1-Azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino)thiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1-Azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino)thiourea?
Yes, CoreyChem provides custom synthesis services for (1-Azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.