EINECS 258-314-0
TL;DR: EINECS 258-314-0 (CAS 53035-42-0) is a chemical compound with molecular formula C23H24N2O3S3 and molecular weight 472.0949 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-[3-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate
Also Known As: 2-(3-(3-Ethyl-3H-benzothiazol-2-ylidene)isobut-1-enyl)-3-(3-sulphonatopropyl)benzothiazolium, 2-[3-(3-ETHYL-3H-BENZOTHIAZOL-2-YLIDENE)ISOBUT-1-ENYL]-3-(3-SULFONATOPROPYL)BENZOTHIAZOLIUM, 3-[2-[3-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate, 2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)isobut-1-enyl]-3-(3-sulphonatopropyl)benzothiazolium, 3-{2-[3-(3-Ethyl-1,3-benzothiazol-2(3H)-ylidene)-2-methylprop-1-en-1-yl]-1,3-benzothiazol-3-ium-3-yl}propane-1-sulfonate
Technical Specifications
| Molecular Formula | C23H24N2O3S3 |
| Molecular Weight | 472.0949 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 472.0949 Da |
| Heavy Atoms | 31 |
| Complexity | 779.0 |
| SMILES | CCN1C2=CC=CC=C2SC1=CC(=CC3=[N+](C4=CC=CC=C4S3)CCCS(=O)(=O)[O-])C |
| InChIKey | OUIOLMCBRQVYLW-UHFFFAOYSA-N |
Chemical Property Profile of EINECS 258-314-0
Property Insights of EINECS 258-314-0
The XLogP value of 5.7 indicates that EINECS 258-314-0 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 258-314-0. Following Lipinski's Rule of Five, EINECS 258-314-0 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of EINECS 258-314-0?
The CAS number of EINECS 258-314-0 is 53035-42-0.
What is the molecular formula of EINECS 258-314-0?
The molecular formula of EINECS 258-314-0 is C23H24N2O3S3.
What is the molecular weight of EINECS 258-314-0?
The molecular weight of EINECS 258-314-0 is 472.0949 g/mol.
Where can I buy EINECS 258-314-0?
You can request a quote for EINECS 258-314-0 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for EINECS 258-314-0?
Yes, CoreyChem provides custom synthesis services for EINECS 258-314-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.