2(3H)-Benzothiazolethione, compd. with N-butyl-1-butanamine (1:1)
TL;DR: 2(3H)-Benzothiazolethione, compd. with N-butyl-1-butanamine (1:1) (CAS 65605-47-2) is a chemical compound with molecular formula C15H24N2S2 and molecular weight 296.14 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-butylbutan-1-amine
Also Known As: Dibutylammonium 2-mercaptobenzothiazole, EINECS 265-842-5, 2(3H)-Benzothiazolethione, compd. with N-butyl-1-butanamine (1:1), 3H-1,3-benzothiazole-2-thione; N-butylbutan-1-amine, Benzothiazole-2(3H)-thione, compound with dibutylamine (1:1)
| Molecular Formula | C15H24N2S2 |
|---|---|
| Molecular Weight | 296.14 g/mol |
| LogP | 5.13509 |
| Topological Polar Surface Area | 27.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 296.1381 |
| Heavy Atoms | 19 |
| Complexity | 459.8149 |
Chemical Identifiers
| CAS Number | 65605-47-2 |
|---|---|
| SMILES | CCCCNCCCC.C1=CC=C2C(=C1)NC(=S)S2 |
Product Overview
2(3H)-Benzothiazolethione, compd. with N-butyl-1-butanamine (1:1) (CAS 65605-47-2), with molecular formula C15H24N2S2 and molecular weight 296.14 g/mol. IUPAC: 3H-1,3-benzothiazole-2-thione;N-butylbutan-1-amine.
Chemical Property Profile of 2(3H)-Benzothiazolethione, compd. with N-butyl-1-butanamine (1:1)
Property Insights of 2(3H)-Benzothiazolethione, compd. with N-butyl-1-butanamine (1:1)
The XLogP value of 5.13509 indicates that 2(3H)-Benzothiazolethione, compd. with N-butyl-1-butanamine (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.82 Ų, 2(3H)-Benzothiazolethione, compd. with N-butyl-1-butanamine (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzothiazolethione, compd. with N-butyl-1-butanamine (1:1) 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 2(3H)-Benzothiazolethione, compd. with N-butyl-1-butanamine (1:1)?
The CAS number of 2(3H)-Benzothiazolethione, compd. with N-butyl-1-butanamine (1:1) is 65605-47-2.
What is the molecular formula of 2(3H)-Benzothiazolethione, compd. with N-butyl-1-butanamine (1:1)?
The molecular formula of 2(3H)-Benzothiazolethione, compd. with N-butyl-1-butanamine (1:1) is C15H24N2S2.
What is the molecular weight of 2(3H)-Benzothiazolethione, compd. with N-butyl-1-butanamine (1:1)?
The molecular weight of 2(3H)-Benzothiazolethione, compd. with N-butyl-1-butanamine (1:1) is 296.14 g/mol.
Where can I buy 2(3H)-Benzothiazolethione, compd. with N-butyl-1-butanamine (1:1)?
You can request a quote for 2(3H)-Benzothiazolethione, compd. with N-butyl-1-butanamine (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-butyl-1-butanamine (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzothiazolethione, compd. with N-butyl-1-butanamine (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.