2(3H)-Benzothiazolethione, compd. with N,N-diethylethanamine (1:1)
TL;DR: 2(3H)-Benzothiazolethione, compd. with N,N-diethylethanamine (1:1) (CAS 65605-48-3) is a chemical compound with molecular formula C13H20N2S2 and molecular weight 268.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3H-1,3-benzothiazole-2-thione;N,N-diethylethanamine
Also Known As: Triethylammonium 2-mercaptobenzothiazole, EINECS 265-843-0, 2(3H)-Benzothiazolethione, compd. with N,N-diethylethanamine (1:1), 3H-1,3-benzothiazole-2-thione; N,N-diethylethanamine, 1,3-Benzothiazole-2(3H)-thione--N,N-diethylethanamine (1/1)
| Molecular Formula | C13H20N2S2 |
|---|---|
| Molecular Weight | 268.11 g/mol |
| LogP | 4.30699 |
| Topological Polar Surface Area | 19.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.10678 |
| Heavy Atoms | 17 |
| Complexity | 441.6154 |
Chemical Identifiers
| CAS Number | 65605-48-3 |
|---|---|
| SMILES | CCN(CC)CC.C1=CC=C2C(=C1)NC(=S)S2 |
Product Overview
2(3H)-Benzothiazolethione, compd. with N,N-diethylethanamine (1:1) (CAS 65605-48-3), with molecular formula C13H20N2S2 and molecular weight 268.11 g/mol. IUPAC: 3H-1,3-benzothiazole-2-thione;N,N-diethylethanamine.
Chemical Property Profile of 2(3H)-Benzothiazolethione, compd. with N,N-diethylethanamine (1:1)
Property Insights of 2(3H)-Benzothiazolethione, compd. with N,N-diethylethanamine (1:1)
The XLogP value of 4.30699 indicates that 2(3H)-Benzothiazolethione, compd. with N,N-diethylethanamine (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 19.03 Ų, 2(3H)-Benzothiazolethione, compd. with N,N-diethylethanamine (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzothiazolethione, compd. with N,N-diethylethanamine (1:1) has 1 hydrogen bond donor(s) and 3 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 2(3H)-Benzothiazolethione, compd. with N,N-diethylethanamine (1:1)?
The CAS number of 2(3H)-Benzothiazolethione, compd. with N,N-diethylethanamine (1:1) is 65605-48-3.
What is the molecular formula of 2(3H)-Benzothiazolethione, compd. with N,N-diethylethanamine (1:1)?
The molecular formula of 2(3H)-Benzothiazolethione, compd. with N,N-diethylethanamine (1:1) is C13H20N2S2.
What is the molecular weight of 2(3H)-Benzothiazolethione, compd. with N,N-diethylethanamine (1:1)?
The molecular weight of 2(3H)-Benzothiazolethione, compd. with N,N-diethylethanamine (1:1) is 268.11 g/mol.
Where can I buy 2(3H)-Benzothiazolethione, compd. with N,N-diethylethanamine (1:1)?
You can request a quote for 2(3H)-Benzothiazolethione, compd. with N,N-diethylethanamine (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(3H)-Benzothiazolethione, compd. with N,N-diethylethanamine (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzothiazolethione, compd. with N,N-diethylethanamine (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.