![2-(3-{[(4-Bromophenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole structure](/static/products/4000/400087-85-6.webp)
2-(3-{[(4-Bromophenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole
TL;DR: 2-(3-{[(4-Bromophenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole (CAS 400087-85-6) is a chemical compound with molecular formula C20H14BrNS2 and molecular weight 410.9751 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-[(4-bromophenyl)sulfanylmethyl]phenyl]-1,3-benzothiazole
Also Known As: 8G-395S, 2-(3-{[(4-bromophenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole, 2-[3-[(4-bromophenyl)sulfanylmethyl]phenyl]-1,3-benzothiazole, 2-[3-[(4-bromophenyl)sulfanylmethyl]phenyl]benzothiazole
Technical Specifications
| Molecular Formula | C20H14BrNS2 |
| Molecular Weight | 410.9751 g/mol |
| XLogP | 7.0 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.9751 Da |
| Heavy Atoms | 24 |
| Complexity | 399.0 |
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC=CC(=C3)CSC4=CC=C(C=C4)Br |
| InChIKey | XSPTXERCDIGNSK-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3-{[(4-Bromophenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole
Property Insights of 2-(3-{[(4-Bromophenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole
The XLogP value of 7.0 indicates that 2-(3-{[(4-Bromophenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-{[(4-Bromophenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole. Following Lipinski's Rule of Five, 2-(3-{[(4-Bromophenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole has 0 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 2-(3-{[(4-Bromophenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole?
The CAS number of 2-(3-{[(4-Bromophenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole is 400087-85-6.
What is the molecular formula of 2-(3-{[(4-Bromophenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole?
The molecular formula of 2-(3-{[(4-Bromophenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole is C20H14BrNS2.
What is the molecular weight of 2-(3-{[(4-Bromophenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole?
The molecular weight of 2-(3-{[(4-Bromophenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole is 410.9751 g/mol.
Where can I buy 2-(3-{[(4-Bromophenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole?
You can request a quote for 2-(3-{[(4-Bromophenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-{[(4-Bromophenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole?
Yes, CoreyChem provides custom synthesis services for 2-(3-{[(4-Bromophenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.