2(3H)-Benzothiazolethione, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)-
TL;DR: 2(3H)-Benzothiazolethione, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)- (CAS 100476-58-2) is a chemical compound with molecular formula C21H15N3OS2 and molecular weight 389.06564 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[4-(1,3-benzoxazol-2-yl)anilino]methyl]-1,3-benzothiazole-2-thione
Also Known As: 2(3H)-Benzothiazolethione, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)-, 3-(((4-(2-Benzoxazoyl)phenyl)amino)methyl)-2(3H)-benzothiazolethione, 3-[[4-(1,3-benzoxazol-2-yl)anilino]methyl]-1,3-benzothiazole-2-thione, 3-[p-(2-benzoxazolyl)phenylaminomethyl]benzothiazoline-2-thinone, 3-{[4-(1,3-Benzoxazol-2-yl)anilino]methyl}-1,3-benzothiazole-2(3H)-thione
Technical Specifications
| Molecular Formula | C21H15N3OS2 |
| Molecular Weight | 389.06564 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 98.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.06564 Da |
| Heavy Atoms | 27 |
| Complexity | 540.0 |
| SMILES | C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NCN4C5=CC=CC=C5SC4=S |
| InChIKey | NXDXZCKLGNBCPE-UHFFFAOYSA-N |
Chemical Property Profile of 2(3H)-Benzothiazolethione, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)-
Property Insights of 2(3H)-Benzothiazolethione, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)-
The XLogP value of 5.7 indicates that 2(3H)-Benzothiazolethione, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(3H)-Benzothiazolethione, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)-. Following Lipinski's Rule of Five, 2(3H)-Benzothiazolethione, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)- has 1 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 2(3H)-Benzothiazolethione, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)-?
The CAS number of 2(3H)-Benzothiazolethione, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)- is 100476-58-2.
What is the molecular formula of 2(3H)-Benzothiazolethione, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)-?
The molecular formula of 2(3H)-Benzothiazolethione, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)- is C21H15N3OS2.
What is the molecular weight of 2(3H)-Benzothiazolethione, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)-?
The molecular weight of 2(3H)-Benzothiazolethione, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)- is 389.06564 g/mol.
Where can I buy 2(3H)-Benzothiazolethione, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)-?
You can request a quote for 2(3H)-Benzothiazolethione, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2(3H)-Benzothiazolethione, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)-?
Yes, CoreyChem provides custom synthesis services for 2(3H)-Benzothiazolethione, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.