4-(3-Benzothiazol-2-ylthiopropoxy)-1-chlorobenzene
TL;DR: 4-(3-Benzothiazol-2-ylthiopropoxy)-1-chlorobenzene (CAS 537010-52-9) is a chemical compound with molecular formula C16H14ClNOS2 and molecular weight 335.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-chlorophenoxy)propylsulfanyl]-1,3-benzothiazole
Also Known As: 4-(3-benzothiazol-2-ylthiopropoxy)-1-chlorobenzene, 2-((3-(4-chlorophenoxy)propyl)thio)benzo[d]thiazole, 2-[3-(4-chlorophenoxy)propylsulfanyl]-1,3-benzothiazole, 2-{[3-(4-chlorophenoxy)propyl]sulfanyl}-1,3-benzothiazole
| Molecular Formula | C16H14ClNOS2 |
|---|---|
| Molecular Weight | 335.02 g/mol |
| LogP | 5.5109 |
| Topological Polar Surface Area | 22.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.02054 |
| Heavy Atoms | 21 |
| Complexity | 678.62866 |
Chemical Identifiers
| CAS Number | 537010-52-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCCCOC3=CC=C(C=C3)Cl |
Product Overview
4-(3-Benzothiazol-2-ylthiopropoxy)-1-chlorobenzene (CAS 537010-52-9), with molecular formula C16H14ClNOS2 and molecular weight 335.02 g/mol. IUPAC: 2-[3-(4-chlorophenoxy)propylsulfanyl]-1,3-benzothiazole.
Chemical Property Profile of 4-(3-Benzothiazol-2-ylthiopropoxy)-1-chlorobenzene
Property Insights of 4-(3-Benzothiazol-2-ylthiopropoxy)-1-chlorobenzene
The XLogP value of 5.5109 indicates that 4-(3-Benzothiazol-2-ylthiopropoxy)-1-chlorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.12 Ų, 4-(3-Benzothiazol-2-ylthiopropoxy)-1-chlorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Benzothiazol-2-ylthiopropoxy)-1-chlorobenzene has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(3-Benzothiazol-2-ylthiopropoxy)-1-chlorobenzene?
The CAS number of 4-(3-Benzothiazol-2-ylthiopropoxy)-1-chlorobenzene is 537010-52-9.
What is the molecular formula of 4-(3-Benzothiazol-2-ylthiopropoxy)-1-chlorobenzene?
The molecular formula of 4-(3-Benzothiazol-2-ylthiopropoxy)-1-chlorobenzene is C16H14ClNOS2.
What is the molecular weight of 4-(3-Benzothiazol-2-ylthiopropoxy)-1-chlorobenzene?
The molecular weight of 4-(3-Benzothiazol-2-ylthiopropoxy)-1-chlorobenzene is 335.02 g/mol.
Where can I buy 4-(3-Benzothiazol-2-ylthiopropoxy)-1-chlorobenzene?
You can request a quote for 4-(3-Benzothiazol-2-ylthiopropoxy)-1-chlorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Benzothiazol-2-ylthiopropoxy)-1-chlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Benzothiazol-2-ylthiopropoxy)-1-chlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.