2-((2E)-4-benzothiazol-2-ylthiobut-2-enylthio)benzothiazole
TL;DR: 2-((2E)-4-benzothiazol-2-ylthiobut-2-enylthio)benzothiazole (CAS 101717-16-2) is a chemical compound with molecular formula C18H14N2S4 and molecular weight 386.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-4-(1,3-benzothiazol-2-ylsulfanyl)but-2-enyl]sulfanyl-1,3-benzothiazole
Also Known As: BAS 01127448, (E)-1,4-bis(benzo[d]thiazol-2-ylthio)but-2-ene, 2-((2E)-4-benzothiazol-2-ylthiobut-2-enylthio)benzothiazole, 2,2'-[(2E)-but-2-ene-1,4-diyldisulfanediyl]bis(1,3-benzothiazole), 2-[(E)-4-(1,3-benzothiazol-2-ylsulfanyl)but-2-enyl]sulfanyl-1,3-benzothiazole
| Molecular Formula | C18H14N2S4 |
|---|---|
| Molecular Weight | 386.00 g/mol |
| LogP | 6.3466 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.004 |
| Heavy Atoms | 24 |
| Complexity | 840.69855 |
Chemical Identifiers
| CAS Number | 101717-16-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC/C=C/CSC3=NC4=CC=CC=C4S3 |
Product Overview
2-((2E)-4-benzothiazol-2-ylthiobut-2-enylthio)benzothiazole (CAS 101717-16-2), with molecular formula C18H14N2S4 and molecular weight 386.00 g/mol. IUPAC: 2-[(E)-4-(1,3-benzothiazol-2-ylsulfanyl)but-2-enyl]sulfanyl-1,3-benzothiazole.
Chemical Property Profile of 2-((2E)-4-benzothiazol-2-ylthiobut-2-enylthio)benzothiazole
Property Insights of 2-((2E)-4-benzothiazol-2-ylthiobut-2-enylthio)benzothiazole
The XLogP value of 6.3466 indicates that 2-((2E)-4-benzothiazol-2-ylthiobut-2-enylthio)benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 2-((2E)-4-benzothiazol-2-ylthiobut-2-enylthio)benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2E)-4-benzothiazol-2-ylthiobut-2-enylthio)benzothiazole has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((2E)-4-benzothiazol-2-ylthiobut-2-enylthio)benzothiazole?
The CAS number of 2-((2E)-4-benzothiazol-2-ylthiobut-2-enylthio)benzothiazole is 101717-16-2.
What is the molecular formula of 2-((2E)-4-benzothiazol-2-ylthiobut-2-enylthio)benzothiazole?
The molecular formula of 2-((2E)-4-benzothiazol-2-ylthiobut-2-enylthio)benzothiazole is C18H14N2S4.
What is the molecular weight of 2-((2E)-4-benzothiazol-2-ylthiobut-2-enylthio)benzothiazole?
The molecular weight of 2-((2E)-4-benzothiazol-2-ylthiobut-2-enylthio)benzothiazole is 386.00 g/mol.
Where can I buy 2-((2E)-4-benzothiazol-2-ylthiobut-2-enylthio)benzothiazole?
You can request a quote for 2-((2E)-4-benzothiazol-2-ylthiobut-2-enylthio)benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2E)-4-benzothiazol-2-ylthiobut-2-enylthio)benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-((2E)-4-benzothiazol-2-ylthiobut-2-enylthio)benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.