1-Butanaminium, N,N,N-tributyl-, salt with 2(3H)-benzothiazolethione (1:1)
TL;DR: 1-Butanaminium, N,N,N-tributyl-, salt with 2(3H)-benzothiazolethione (1:1) (CAS 55948-28-2) is a chemical compound with molecular formula C23H40N2S2 and molecular weight 408.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazole-2-thiolate;tetrabutylazanium
Also Known As: 1,3-benzothiazole-2-thiolate; tetrabutylazanium, Tetrabutylammonium, salt with benzothiazolethi-2(3H)-one (1:1), 1-Butanaminium, N,N,N-tributyl-, salt with 2(3H)-benzothiazolethione (1:1), EINECS 259-916-6, RefChem:75198
| Molecular Formula | C23H40N2S2 |
|---|---|
| Molecular Weight | 408.26 g/mol |
| LogP | 7.21 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 408.2633 |
| Heavy Atoms | 27 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 55948-28-2 |
|---|---|
| SMILES | CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C2C(=C1)N=C(S2)[S-] |
| InChIKey | BGGKJBACAYZTCL-UHFFFAOYSA-M |
Product Overview
1-Butanaminium, N,N,N-tributyl-, salt with 2(3H)-benzothiazolethione (1:1) (CAS 55948-28-2), with molecular formula C23H40N2S2 and molecular weight 408.26 g/mol. IUPAC: 1,3-benzothiazole-2-thiolate;tetrabutylazanium.
Chemical Property Profile of 1-Butanaminium, N,N,N-tributyl-, salt with 2(3H)-benzothiazolethione (1:1)
Property Insights of 1-Butanaminium, N,N,N-tributyl-, salt with 2(3H)-benzothiazolethione (1:1)
The XLogP value of 7.21 indicates that 1-Butanaminium, N,N,N-tributyl-, salt with 2(3H)-benzothiazolethione (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.1 Ų, 1-Butanaminium, N,N,N-tributyl-, salt with 2(3H)-benzothiazolethione (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanaminium, N,N,N-tributyl-, salt with 2(3H)-benzothiazolethione (1:1) has 0 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 1-Butanaminium, N,N,N-tributyl-, salt with 2(3H)-benzothiazolethione (1:1)?
The CAS number of 1-Butanaminium, N,N,N-tributyl-, salt with 2(3H)-benzothiazolethione (1:1) is 55948-28-2.
What is the molecular formula of 1-Butanaminium, N,N,N-tributyl-, salt with 2(3H)-benzothiazolethione (1:1)?
The molecular formula of 1-Butanaminium, N,N,N-tributyl-, salt with 2(3H)-benzothiazolethione (1:1) is C23H40N2S2.
What is the molecular weight of 1-Butanaminium, N,N,N-tributyl-, salt with 2(3H)-benzothiazolethione (1:1)?
The molecular weight of 1-Butanaminium, N,N,N-tributyl-, salt with 2(3H)-benzothiazolethione (1:1) is 408.26 g/mol.
Where can I buy 1-Butanaminium, N,N,N-tributyl-, salt with 2(3H)-benzothiazolethione (1:1)?
You can request a quote for 1-Butanaminium, N,N,N-tributyl-, salt with 2(3H)-benzothiazolethione (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanaminium, N,N,N-tributyl-, salt with 2(3H)-benzothiazolethione (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanaminium, N,N,N-tributyl-, salt with 2(3H)-benzothiazolethione (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.