![3-[(4-Bromoanilino)methyl]-1,3-benzothiazole-2-thione structure](/static/products/637/63771-07-3.png)
3-[(4-Bromoanilino)methyl]-1,3-benzothiazole-2-thione
TL;DR: 3-[(4-Bromoanilino)methyl]-1,3-benzothiazole-2-thione (CAS 63771-07-3) is a chemical compound with molecular formula C14H11BrN2S2 and molecular weight 349.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromoanilino)methyl]-1,3-benzothiazole-2-thione
Also Known As: 3-[(4-bromoanilino)methyl]-1,3-benzothiazole-2-thione, 3-[[(4-bromophenyl)amino]methyl]benzothiazole-2-thione, 3-(((4-bromophenyl)amino)methyl)benzo[d]thiazole-2(3H)-thione
| Molecular Formula | C14H11BrN2S2 |
|---|---|
| Molecular Weight | 349.95 g/mol |
| LogP | 5.26439 |
| Topological Polar Surface Area | 16.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.9547 |
| Heavy Atoms | 19 |
| Complexity | 758.96204 |
Chemical Identifiers
| CAS Number | 63771-07-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=S)S2)CNC3=CC=C(C=C3)Br |
Product Overview
3-[(4-Bromoanilino)methyl]-1,3-benzothiazole-2-thione (CAS 63771-07-3), with molecular formula C14H11BrN2S2 and molecular weight 349.95 g/mol. IUPAC: 3-[(4-bromoanilino)methyl]-1,3-benzothiazole-2-thione.
Chemical Property Profile of 3-[(4-Bromoanilino)methyl]-1,3-benzothiazole-2-thione
Property Insights of 3-[(4-Bromoanilino)methyl]-1,3-benzothiazole-2-thione
The XLogP value of 5.26439 indicates that 3-[(4-Bromoanilino)methyl]-1,3-benzothiazole-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 16.96 Ų, 3-[(4-Bromoanilino)methyl]-1,3-benzothiazole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Bromoanilino)methyl]-1,3-benzothiazole-2-thione has 1 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 3-[(4-Bromoanilino)methyl]-1,3-benzothiazole-2-thione?
The CAS number of 3-[(4-Bromoanilino)methyl]-1,3-benzothiazole-2-thione is 63771-07-3.
What is the molecular formula of 3-[(4-Bromoanilino)methyl]-1,3-benzothiazole-2-thione?
The molecular formula of 3-[(4-Bromoanilino)methyl]-1,3-benzothiazole-2-thione is C14H11BrN2S2.
What is the molecular weight of 3-[(4-Bromoanilino)methyl]-1,3-benzothiazole-2-thione?
The molecular weight of 3-[(4-Bromoanilino)methyl]-1,3-benzothiazole-2-thione is 349.95 g/mol.
Where can I buy 3-[(4-Bromoanilino)methyl]-1,3-benzothiazole-2-thione?
You can request a quote for 3-[(4-Bromoanilino)methyl]-1,3-benzothiazole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Bromoanilino)methyl]-1,3-benzothiazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Bromoanilino)methyl]-1,3-benzothiazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.