N-((1,3-Benzothiazol-2-ylthio)methyl)-N,N-diethylamine
TL;DR: N-((1,3-Benzothiazol-2-ylthio)methyl)-N,N-diethylamine (CAS 5139-07-1) is a chemical compound with molecular formula C12H16N2S2 and molecular weight 252.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-ethylethanamine
Also Known As: NCI60_009627, benzothiazol-2-ylsulfanylmethyl-diethyl-amine, N-((1,3-Benzothiazol-2-ylthio)methyl)-N,N-diethylamine, N-((1,3-Benzothiazol-2-ylthio)methyl)-N-ethylethanamine, N-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-ethyl-ethanamine
| Molecular Formula | C12H16N2S2 |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.07549 |
| Heavy Atoms | 16 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 5139-07-1 |
|---|---|
| SMILES | CCN(CC)CSC1=NC2=CC=CC=C2S1 |
| InChIKey | AHPUCDXYYPKNAF-UHFFFAOYSA-N |
Product Overview
N-((1,3-Benzothiazol-2-ylthio)methyl)-N,N-diethylamine (CAS 5139-07-1), with molecular formula C12H16N2S2 and molecular weight 252.08 g/mol. IUPAC: N-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-ethylethanamine.
Chemical Property Profile of N-((1,3-Benzothiazol-2-ylthio)methyl)-N,N-diethylamine
Property Insights of N-((1,3-Benzothiazol-2-ylthio)methyl)-N,N-diethylamine
The XLogP value of 3.2 indicates that N-((1,3-Benzothiazol-2-ylthio)methyl)-N,N-diethylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((1,3-Benzothiazol-2-ylthio)methyl)-N,N-diethylamine. Following Lipinski's Rule of Five, N-((1,3-Benzothiazol-2-ylthio)methyl)-N,N-diethylamine has 0 hydrogen bond donor(s) and 4 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-((1,3-Benzothiazol-2-ylthio)methyl)-N,N-diethylamine?
The CAS number of N-((1,3-Benzothiazol-2-ylthio)methyl)-N,N-diethylamine is 5139-07-1.
What is the molecular formula of N-((1,3-Benzothiazol-2-ylthio)methyl)-N,N-diethylamine?
The molecular formula of N-((1,3-Benzothiazol-2-ylthio)methyl)-N,N-diethylamine is C12H16N2S2.
What is the molecular weight of N-((1,3-Benzothiazol-2-ylthio)methyl)-N,N-diethylamine?
The molecular weight of N-((1,3-Benzothiazol-2-ylthio)methyl)-N,N-diethylamine is 252.08 g/mol.
Where can I buy N-((1,3-Benzothiazol-2-ylthio)methyl)-N,N-diethylamine?
You can request a quote for N-((1,3-Benzothiazol-2-ylthio)methyl)-N,N-diethylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((1,3-Benzothiazol-2-ylthio)methyl)-N,N-diethylamine?
Yes, KEHONG BIO provides custom synthesis services for N-((1,3-Benzothiazol-2-ylthio)methyl)-N,N-diethylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.