5-chloro-3H-1,3-benzothiazole-2-thione;hexadecan-1-amine
TL;DR: 5-chloro-3H-1,3-benzothiazole-2-thione;hexadecan-1-amine (CAS 5332-02-5) is a chemical compound with molecular formula C23H39ClN2S2 and molecular weight 442.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3H-1,3-benzothiazole-2-thione;hexadecan-1-amine
Also Known As: 5-chloro-3H-1,3-benzothiazole-2-thione; hexadecan-1-amine, 5-chloro-3H-1,3-benzothiazole-2-thione;hexadecan-1-amine, 5-Chloro-1,3-benzothiazole-2(3H)-thione--hexadecan-1-amine (1/1)
| Molecular Formula | C23H39ClN2S2 |
|---|---|
| Molecular Weight | 442.22 g/mol |
| LogP | 9.03869 |
| Topological Polar Surface Area | 41.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 442.2243 |
| Heavy Atoms | 28 |
| Complexity | 651.91125 |
Chemical Identifiers
| CAS Number | 5332-02-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCN.C1=CC2=C(C=C1Cl)NC(=S)S2 |
Product Overview
5-chloro-3H-1,3-benzothiazole-2-thione;hexadecan-1-amine (CAS 5332-02-5), with molecular formula C23H39ClN2S2 and molecular weight 442.22 g/mol. IUPAC: 5-chloro-3H-1,3-benzothiazole-2-thione;hexadecan-1-amine.
Chemical Property Profile of 5-chloro-3H-1,3-benzothiazole-2-thione;hexadecan-1-amine
Property Insights of 5-chloro-3H-1,3-benzothiazole-2-thione;hexadecan-1-amine
The XLogP value of 9.03869 indicates that 5-chloro-3H-1,3-benzothiazole-2-thione;hexadecan-1-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.81 Ų, 5-chloro-3H-1,3-benzothiazole-2-thione;hexadecan-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-3H-1,3-benzothiazole-2-thione;hexadecan-1-amine has 2 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 5-chloro-3H-1,3-benzothiazole-2-thione;hexadecan-1-amine?
The CAS number of 5-chloro-3H-1,3-benzothiazole-2-thione;hexadecan-1-amine is 5332-02-5.
What is the molecular formula of 5-chloro-3H-1,3-benzothiazole-2-thione;hexadecan-1-amine?
The molecular formula of 5-chloro-3H-1,3-benzothiazole-2-thione;hexadecan-1-amine is C23H39ClN2S2.
What is the molecular weight of 5-chloro-3H-1,3-benzothiazole-2-thione;hexadecan-1-amine?
The molecular weight of 5-chloro-3H-1,3-benzothiazole-2-thione;hexadecan-1-amine is 442.22 g/mol.
Where can I buy 5-chloro-3H-1,3-benzothiazole-2-thione;hexadecan-1-amine?
You can request a quote for 5-chloro-3H-1,3-benzothiazole-2-thione;hexadecan-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-3H-1,3-benzothiazole-2-thione;hexadecan-1-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-3H-1,3-benzothiazole-2-thione;hexadecan-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.