![(E)-3-ethyl-5-methoxy-2-((3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl)benzo[d]thiazol-3-ium 4-methylbenzenesulfonate structure](/static/products/1164/1164105-90-1.webp)
(E)-3-ethyl-5-methoxy-2-((3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl)benzo[d]thiazol-3-ium 4-methylbenzenesulfonate
TL;DR: (E)-3-ethyl-5-methoxy-2-((3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl)benzo[d]thiazol-3-ium 4-methylbenzenesulfonate (CAS 1164105-90-1) is a chemical compound with molecular formula C27H33NO4S2 and molecular weight 499.1851 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-ethyl-5-methoxy-2-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate
Also Known As: (E)-3-ethyl-5-methoxy-2-((3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl)benzo[d]thiazol-3-ium 4-methylbenzenesulfonate, 3-ethyl-5-methoxy-2-[(3,5,5-trimethyl-2-cyclohexen-1-ylidene)methyl]-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate, 3-ethyl-5-methoxy-2-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate, 3-ethyl-5-methoxy-2-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate, 3-ethyl-5-methoxy-2-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate
Technical Specifications
| Molecular Formula | C27H33NO4S2 |
| Molecular Weight | 499.1851 g/mol |
| XLogP | 6.26612 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 499.1851 Da |
| Heavy Atoms | 34 |
| Complexity | 689.0 |
| SMILES | CC[N+]1=C(SC2=C1C=C(C=C2)OC)/C=C/3\CC(CC(=C3)C)(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | WNVSMZRRBUIYQH-AZJSCORLSA-M |
Chemical Property Profile of (E)-3-ethyl-5-methoxy-2-((3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl)benzo[d]thiazol-3-ium 4-methylbenzenesulfonate
Property Insights of (E)-3-ethyl-5-methoxy-2-((3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl)benzo[d]thiazol-3-ium 4-methylbenzenesulfonate
The XLogP value of 6.26612 indicates that (E)-3-ethyl-5-methoxy-2-((3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl)benzo[d]thiazol-3-ium 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-ethyl-5-methoxy-2-((3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl)benzo[d]thiazol-3-ium 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, (E)-3-ethyl-5-methoxy-2-((3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl)benzo[d]thiazol-3-ium 4-methylbenzenesulfonate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (E)-3-ethyl-5-methoxy-2-((3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl)benzo[d]thiazol-3-ium 4-methylbenzenesulfonate?
The CAS number of (E)-3-ethyl-5-methoxy-2-((3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl)benzo[d]thiazol-3-ium 4-methylbenzenesulfonate is 1164105-90-1.
What is the molecular formula of (E)-3-ethyl-5-methoxy-2-((3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl)benzo[d]thiazol-3-ium 4-methylbenzenesulfonate?
The molecular formula of (E)-3-ethyl-5-methoxy-2-((3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl)benzo[d]thiazol-3-ium 4-methylbenzenesulfonate is C27H33NO4S2.
What is the molecular weight of (E)-3-ethyl-5-methoxy-2-((3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl)benzo[d]thiazol-3-ium 4-methylbenzenesulfonate?
The molecular weight of (E)-3-ethyl-5-methoxy-2-((3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl)benzo[d]thiazol-3-ium 4-methylbenzenesulfonate is 499.1851 g/mol.
Where can I buy (E)-3-ethyl-5-methoxy-2-((3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl)benzo[d]thiazol-3-ium 4-methylbenzenesulfonate?
You can request a quote for (E)-3-ethyl-5-methoxy-2-((3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl)benzo[d]thiazol-3-ium 4-methylbenzenesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-3-ethyl-5-methoxy-2-((3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl)benzo[d]thiazol-3-ium 4-methylbenzenesulfonate?
Yes, CoreyChem provides custom synthesis services for (E)-3-ethyl-5-methoxy-2-((3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl)benzo[d]thiazol-3-ium 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.