![2-{[(3-Bromophenyl)methyl]sulfanyl}-1,3-benzothiazole structure](/static/products/522/522651-14-5.png)
2-{[(3-Bromophenyl)methyl]sulfanyl}-1,3-benzothiazole
TL;DR: 2-{[(3-Bromophenyl)methyl]sulfanyl}-1,3-benzothiazole (CAS 522651-14-5) is a chemical compound with molecular formula C14H10BrNS2 and molecular weight 334.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-bromophenyl)methylsulfanyl]-1,3-benzothiazole
Also Known As: 2-(3-Bromobenzylthio)benzothiazole, 2-((3-bromobenzyl)thio)benzo[d]thiazole, 2-{[(3-bromophenyl)methyl]sulfanyl}-1,3-benzothiazole, J2.098.519D, 2-[(3-bromophenyl)methylsulfanyl]benzothiazole
| Molecular Formula | C14H10BrNS2 |
|---|---|
| Molecular Weight | 334.94 g/mol |
| LogP | 5.3511 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.9438 |
| Heavy Atoms | 18 |
| Complexity | 645.12054 |
Chemical Identifiers
| CAS Number | 522651-14-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCC3=CC(=CC=C3)Br |
Product Overview
2-{[(3-Bromophenyl)methyl]sulfanyl}-1,3-benzothiazole (CAS 522651-14-5), with molecular formula C14H10BrNS2 and molecular weight 334.94 g/mol. IUPAC: 2-[(3-bromophenyl)methylsulfanyl]-1,3-benzothiazole.
Chemical Property Profile of 2-{[(3-Bromophenyl)methyl]sulfanyl}-1,3-benzothiazole
Property Insights of 2-{[(3-Bromophenyl)methyl]sulfanyl}-1,3-benzothiazole
The XLogP value of 5.3511 indicates that 2-{[(3-Bromophenyl)methyl]sulfanyl}-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 2-{[(3-Bromophenyl)methyl]sulfanyl}-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[(3-Bromophenyl)methyl]sulfanyl}-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
Frequently Asked Questions
What is the CAS number of 2-{[(3-Bromophenyl)methyl]sulfanyl}-1,3-benzothiazole?
The CAS number of 2-{[(3-Bromophenyl)methyl]sulfanyl}-1,3-benzothiazole is 522651-14-5.
What is the molecular formula of 2-{[(3-Bromophenyl)methyl]sulfanyl}-1,3-benzothiazole?
The molecular formula of 2-{[(3-Bromophenyl)methyl]sulfanyl}-1,3-benzothiazole is C14H10BrNS2.
What is the molecular weight of 2-{[(3-Bromophenyl)methyl]sulfanyl}-1,3-benzothiazole?
The molecular weight of 2-{[(3-Bromophenyl)methyl]sulfanyl}-1,3-benzothiazole is 334.94 g/mol.
Where can I buy 2-{[(3-Bromophenyl)methyl]sulfanyl}-1,3-benzothiazole?
You can request a quote for 2-{[(3-Bromophenyl)methyl]sulfanyl}-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(3-Bromophenyl)methyl]sulfanyl}-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(3-Bromophenyl)methyl]sulfanyl}-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.