![2-{[(3-Hexadecyl-1,3-benzothiazol-2(3H)-ylidene)hydrazinylidene]methyl}benzene-1-sulfonic acid structure](/static/products/5167/5167-52-2.webp)
2-{[(3-Hexadecyl-1,3-benzothiazol-2(3H)-ylidene)hydrazinylidene]methyl}benzene-1-sulfonic acid
TL;DR: 2-{[(3-Hexadecyl-1,3-benzothiazol-2(3H)-ylidene)hydrazinylidene]methyl}benzene-1-sulfonic acid (CAS 5167-52-2) is a chemical compound with molecular formula C30H43N3O3S2 and molecular weight 557.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(3-hexadecyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]benzenesulfonic acid
Also Known As: 2-{[(3-Hexadecyl-1,3-benzothiazol-2(3H)-ylidene)hydrazinylidene]methyl}benzene-1-sulfonic acid, 2-[[(3-hexadecyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]benzenesulfonic acid
| Molecular Formula | C30H43N3O3S2 |
|---|---|
| Molecular Weight | 557.27 g/mol |
| LogP | 10.3 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 18 |
| Exact Mass | 557.2746 |
| Heavy Atoms | 38 |
| Complexity | 812.0 |
Chemical Identifiers
| CAS Number | 5167-52-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCN1C2=CC=CC=C2SC1=NN=CC3=CC=CC=C3S(=O)(=O)O |
| InChIKey | SIARGXKBQYELBL-UHFFFAOYSA-N |
Product Overview
2-{[(3-Hexadecyl-1,3-benzothiazol-2(3H)-ylidene)hydrazinylidene]methyl}benzene-1-sulfonic acid (CAS 5167-52-2), with molecular formula C30H43N3O3S2 and molecular weight 557.27 g/mol. IUPAC: 2-[[(3-hexadecyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]benzenesulfonic acid.
Chemical Property Profile of 2-{[(3-Hexadecyl-1,3-benzothiazol-2(3H)-ylidene)hydrazinylidene]methyl}benzene-1-sulfonic acid
Property Insights of 2-{[(3-Hexadecyl-1,3-benzothiazol-2(3H)-ylidene)hydrazinylidene]methyl}benzene-1-sulfonic acid
The XLogP value of 10.3 indicates that 2-{[(3-Hexadecyl-1,3-benzothiazol-2(3H)-ylidene)hydrazinylidene]methyl}benzene-1-sulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(3-Hexadecyl-1,3-benzothiazol-2(3H)-ylidene)hydrazinylidene]methyl}benzene-1-sulfonic acid. Following Lipinski's Rule of Five, 2-{[(3-Hexadecyl-1,3-benzothiazol-2(3H)-ylidene)hydrazinylidene]methyl}benzene-1-sulfonic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[(3-Hexadecyl-1,3-benzothiazol-2(3H)-ylidene)hydrazinylidene]methyl}benzene-1-sulfonic acid?
The CAS number of 2-{[(3-Hexadecyl-1,3-benzothiazol-2(3H)-ylidene)hydrazinylidene]methyl}benzene-1-sulfonic acid is 5167-52-2.
What is the molecular formula of 2-{[(3-Hexadecyl-1,3-benzothiazol-2(3H)-ylidene)hydrazinylidene]methyl}benzene-1-sulfonic acid?
The molecular formula of 2-{[(3-Hexadecyl-1,3-benzothiazol-2(3H)-ylidene)hydrazinylidene]methyl}benzene-1-sulfonic acid is C30H43N3O3S2.
What is the molecular weight of 2-{[(3-Hexadecyl-1,3-benzothiazol-2(3H)-ylidene)hydrazinylidene]methyl}benzene-1-sulfonic acid?
The molecular weight of 2-{[(3-Hexadecyl-1,3-benzothiazol-2(3H)-ylidene)hydrazinylidene]methyl}benzene-1-sulfonic acid is 557.27 g/mol.
Where can I buy 2-{[(3-Hexadecyl-1,3-benzothiazol-2(3H)-ylidene)hydrazinylidene]methyl}benzene-1-sulfonic acid?
You can request a quote for 2-{[(3-Hexadecyl-1,3-benzothiazol-2(3H)-ylidene)hydrazinylidene]methyl}benzene-1-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(3-Hexadecyl-1,3-benzothiazol-2(3H)-ylidene)hydrazinylidene]methyl}benzene-1-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(3-Hexadecyl-1,3-benzothiazol-2(3H)-ylidene)hydrazinylidene]methyl}benzene-1-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.