N-(4-bromophenyl)-1,3-benzothiazole-2-carbothioamide
TL;DR: N-(4-bromophenyl)-1,3-benzothiazole-2-carbothioamide (CAS 108656-72-0) is a chemical compound with molecular formula C14H9BrN2S2 and molecular weight 347.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-1,3-benzothiazole-2-carbothioamide
Also Known As: N-(4-bromophenyl)-1,3-benzothiazole-2-carbothioamide, N-(4-bromophenyl)benzo[d]thiazole-2-carbothioamide, F1256-0027, p-bromophenyl-1,3-benzothiazole-2-carbothioamide
| Molecular Formula | C14H9BrN2S2 |
|---|---|
| Molecular Weight | 347.94 g/mol |
| LogP | 4.8464 |
| Topological Polar Surface Area | 24.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.93906 |
| Heavy Atoms | 19 |
| Complexity | 701.5456 |
Chemical Identifiers
| CAS Number | 108656-72-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C(=S)NC3=CC=C(C=C3)Br |
Product Overview
N-(4-bromophenyl)-1,3-benzothiazole-2-carbothioamide (CAS 108656-72-0), with molecular formula C14H9BrN2S2 and molecular weight 347.94 g/mol. IUPAC: N-(4-bromophenyl)-1,3-benzothiazole-2-carbothioamide.
Chemical Property Profile of N-(4-bromophenyl)-1,3-benzothiazole-2-carbothioamide
Property Insights of N-(4-bromophenyl)-1,3-benzothiazole-2-carbothioamide
The XLogP value of 4.8464 indicates that N-(4-bromophenyl)-1,3-benzothiazole-2-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.92 Ų, N-(4-bromophenyl)-1,3-benzothiazole-2-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-bromophenyl)-1,3-benzothiazole-2-carbothioamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-bromophenyl)-1,3-benzothiazole-2-carbothioamide?
The CAS number of N-(4-bromophenyl)-1,3-benzothiazole-2-carbothioamide is 108656-72-0.
What is the molecular formula of N-(4-bromophenyl)-1,3-benzothiazole-2-carbothioamide?
The molecular formula of N-(4-bromophenyl)-1,3-benzothiazole-2-carbothioamide is C14H9BrN2S2.
What is the molecular weight of N-(4-bromophenyl)-1,3-benzothiazole-2-carbothioamide?
The molecular weight of N-(4-bromophenyl)-1,3-benzothiazole-2-carbothioamide is 347.94 g/mol.
Where can I buy N-(4-bromophenyl)-1,3-benzothiazole-2-carbothioamide?
You can request a quote for N-(4-bromophenyl)-1,3-benzothiazole-2-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-bromophenyl)-1,3-benzothiazole-2-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-bromophenyl)-1,3-benzothiazole-2-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.