![(2Z)-2-{[(4-bromophenyl)amino]methylidene}-1-benzothiophene-3(2H)-thione structure](/static/products/312/312939-13-2.png)
(2Z)-2-{[(4-bromophenyl)amino]methylidene}-1-benzothiophene-3(2H)-thione
TL;DR: (2Z)-2-{[(4-bromophenyl)amino]methylidene}-1-benzothiophene-3(2H)-thione (CAS 312939-13-2) is a chemical compound with molecular formula C15H10BrNS2 and molecular weight 346.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromophenyl)iminomethyl]-1-benzothiophene-3-thiol
Also Known As: 2-[(4-bromoanilino)methylidene]-1-benzothiophene-3-thione, (2Z)-2-[(4-bromoanilino)methylidene]-1-benzothiophene-3-thione, (2Z)-2-{[(4-bromophenyl)amino]methylidene}-1-benzothiophene-3(2H)-thione, (Z)-2-(((4-bromophenyl)amino)methylene)benzo[b]thiophene-3(2H)-thione
| Molecular Formula | C15H10BrNS2 |
|---|---|
| Molecular Weight | 346.94 g/mol |
| LogP | 5.7031 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.9438 |
| Heavy Atoms | 19 |
| Complexity | 744.4315 |
Chemical Identifiers
| CAS Number | 312939-13-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C=NC3=CC=C(C=C3)Br)S |
Product Overview
(2Z)-2-{[(4-bromophenyl)amino]methylidene}-1-benzothiophene-3(2H)-thione (CAS 312939-13-2), with molecular formula C15H10BrNS2 and molecular weight 346.94 g/mol. IUPAC: 2-[(4-bromophenyl)iminomethyl]-1-benzothiophene-3-thiol.
Chemical Property Profile of (2Z)-2-{[(4-bromophenyl)amino]methylidene}-1-benzothiophene-3(2H)-thione
Property Insights of (2Z)-2-{[(4-bromophenyl)amino]methylidene}-1-benzothiophene-3(2H)-thione
The XLogP value of 5.7031 indicates that (2Z)-2-{[(4-bromophenyl)amino]methylidene}-1-benzothiophene-3(2H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, (2Z)-2-{[(4-bromophenyl)amino]methylidene}-1-benzothiophene-3(2H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z)-2-{[(4-bromophenyl)amino]methylidene}-1-benzothiophene-3(2H)-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 (2Z)-2-{[(4-bromophenyl)amino]methylidene}-1-benzothiophene-3(2H)-thione?
The CAS number of (2Z)-2-{[(4-bromophenyl)amino]methylidene}-1-benzothiophene-3(2H)-thione is 312939-13-2.
What is the molecular formula of (2Z)-2-{[(4-bromophenyl)amino]methylidene}-1-benzothiophene-3(2H)-thione?
The molecular formula of (2Z)-2-{[(4-bromophenyl)amino]methylidene}-1-benzothiophene-3(2H)-thione is C15H10BrNS2.
What is the molecular weight of (2Z)-2-{[(4-bromophenyl)amino]methylidene}-1-benzothiophene-3(2H)-thione?
The molecular weight of (2Z)-2-{[(4-bromophenyl)amino]methylidene}-1-benzothiophene-3(2H)-thione is 346.94 g/mol.
Where can I buy (2Z)-2-{[(4-bromophenyl)amino]methylidene}-1-benzothiophene-3(2H)-thione?
You can request a quote for (2Z)-2-{[(4-bromophenyl)amino]methylidene}-1-benzothiophene-3(2H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-2-{[(4-bromophenyl)amino]methylidene}-1-benzothiophene-3(2H)-thione?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-{[(4-bromophenyl)amino]methylidene}-1-benzothiophene-3(2H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.