5-(3,7,11-trimethyldodeca-2,6,10-trienylthio)-1H-1,2,4-triazole
TL;DR: 5-(3,7,11-trimethyldodeca-2,6,10-trienylthio)-1H-1,2,4-triazole (CAS 156604-45-4) is a chemical compound with molecular formula C17H27N3S and molecular weight 305.19257 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)-1H-1,2,4-triazole
Also Known As: Farnesylthiotriazole, Imatinib mesylate, Farnesyl thiotriazole, 5-(3,7,11-trimethyldodeca-2,6,10-trienylthio)-1H-1,2,4-triazole, 5-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)-1H-1,2,4-triazole
Technical Specifications
| Molecular Formula | C17H27N3S |
| Molecular Weight | 305.19257 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 305.19257 Da |
| Heavy Atoms | 21 |
| Complexity | 381.0 |
| SMILES | CC(=CCCC(=CCCC(=CCSC1=NC=NN1)C)C)C |
| InChIKey | QFXNCKFWHATRCH-UHFFFAOYSA-N |
Product Description
Applications: 5-(3,7,11-trimethyldodeca-2,6,10-trienylthio)-1H-1,2,4-triazole is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A fine chemical supplied by CoreyChem, 5-(3,7,11-trimethyldodeca-2,6,10-trienylthio)-1H-1,2,4-triazole (CAS 156604-45-4) has the molecular formula C17H27N3S and a molecular weight of 305.19 g/mol. Synonyms include Farnesylthiotriazole and Imatinib mesylate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 5-(3,7,11-trimethyldodeca-2,6,10-trienylthio)-1H-1,2,4-triazole
Property Insights of 5-(3,7,11-trimethyldodeca-2,6,10-trienylthio)-1H-1,2,4-triazole
The XLogP value of 6.0 indicates that 5-(3,7,11-trimethyldodeca-2,6,10-trienylthio)-1H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,7,11-trimethyldodeca-2,6,10-trienylthio)-1H-1,2,4-triazole. Following Lipinski's Rule of Five, 5-(3,7,11-trimethyldodeca-2,6,10-trienylthio)-1H-1,2,4-triazole has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 5-(3,7,11-trimethyldodeca-2,6,10-trienylthio)-1H-1,2,4-triazole?
The CAS number of 5-(3,7,11-trimethyldodeca-2,6,10-trienylthio)-1H-1,2,4-triazole is 156604-45-4.
What is the molecular formula of 5-(3,7,11-trimethyldodeca-2,6,10-trienylthio)-1H-1,2,4-triazole?
The molecular formula of 5-(3,7,11-trimethyldodeca-2,6,10-trienylthio)-1H-1,2,4-triazole is C17H27N3S.
What is the molecular weight of 5-(3,7,11-trimethyldodeca-2,6,10-trienylthio)-1H-1,2,4-triazole?
The molecular weight of 5-(3,7,11-trimethyldodeca-2,6,10-trienylthio)-1H-1,2,4-triazole is 305.19257 g/mol.
What are the applications of 5-(3,7,11-trimethyldodeca-2,6,10-trienylthio)-1H-1,2,4-triazole?
5-(3,7,11-trimethyldodeca-2,6,10-trienylthio)-1H-1,2,4-triazole is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full...
Where can I buy 5-(3,7,11-trimethyldodeca-2,6,10-trienylthio)-1H-1,2,4-triazole?
You can request a quote for 5-(3,7,11-trimethyldodeca-2,6,10-trienylthio)-1H-1,2,4-triazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(3,7,11-trimethyldodeca-2,6,10-trienylthio)-1H-1,2,4-triazole?
Yes, CoreyChem provides custom synthesis services for 5-(3,7,11-trimethyldodeca-2,6,10-trienylthio)-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.