2-(3-chloro-1-benzothiophen-2-yl)quinazoline-4(3H)-thione
TL;DR: 2-(3-chloro-1-benzothiophen-2-yl)quinazoline-4(3H)-thione (CAS 695170-76-4) is a chemical compound with molecular formula C16H9ClN2S2 and molecular weight 327.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloro-1-benzothiophen-2-yl)-1H-quinazoline-4-thione
Also Known As: 2-(3-chloro-1-benzothiophen-2-yl)quinazoline-4(3H)-thione, 2-(3-chloro-1-benzothien-2-yl)-4(3H)-quinazolinethione, 2-(3-chloro-1-benzothiophen-2-yl)-1H-quinazoline-4-thione, 2-(3-Chloro-benzo[b]thiophen-2-yl)-3H-quinazoline-4-thione, 2-(3-CHLORO-1-BENZOTHIOPHEN-2-YL)-3H-QUINAZOLINE-4-THIONE
| Molecular Formula | C16H9ClN2S2 |
|---|---|
| Molecular Weight | 327.99 g/mol |
| LogP | 5.82749 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 327.98956 |
| Heavy Atoms | 21 |
| Complexity | 1033.2445 |
Chemical Identifiers
| CAS Number | 695170-76-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=S)N=C(N2)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
2-(3-chloro-1-benzothiophen-2-yl)quinazoline-4(3H)-thione (CAS 695170-76-4), with molecular formula C16H9ClN2S2 and molecular weight 327.99 g/mol. IUPAC: 2-(3-chloro-1-benzothiophen-2-yl)-1H-quinazoline-4-thione.
Chemical Property Profile of 2-(3-chloro-1-benzothiophen-2-yl)quinazoline-4(3H)-thione
Property Insights of 2-(3-chloro-1-benzothiophen-2-yl)quinazoline-4(3H)-thione
The XLogP value of 5.82749 indicates that 2-(3-chloro-1-benzothiophen-2-yl)quinazoline-4(3H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, 2-(3-chloro-1-benzothiophen-2-yl)quinazoline-4(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-chloro-1-benzothiophen-2-yl)quinazoline-4(3H)-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 2-(3-chloro-1-benzothiophen-2-yl)quinazoline-4(3H)-thione?
The CAS number of 2-(3-chloro-1-benzothiophen-2-yl)quinazoline-4(3H)-thione is 695170-76-4.
What is the molecular formula of 2-(3-chloro-1-benzothiophen-2-yl)quinazoline-4(3H)-thione?
The molecular formula of 2-(3-chloro-1-benzothiophen-2-yl)quinazoline-4(3H)-thione is C16H9ClN2S2.
What is the molecular weight of 2-(3-chloro-1-benzothiophen-2-yl)quinazoline-4(3H)-thione?
The molecular weight of 2-(3-chloro-1-benzothiophen-2-yl)quinazoline-4(3H)-thione is 327.99 g/mol.
Where can I buy 2-(3-chloro-1-benzothiophen-2-yl)quinazoline-4(3H)-thione?
You can request a quote for 2-(3-chloro-1-benzothiophen-2-yl)quinazoline-4(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-chloro-1-benzothiophen-2-yl)quinazoline-4(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-chloro-1-benzothiophen-2-yl)quinazoline-4(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.