![Bis[(1,3-benzothiazol-2-yl)] carbonotrithioate structure](/static/products/5273/52739-89-6.webp)
Bis[(1,3-benzothiazol-2-yl)] carbonotrithioate
TL;DR: Bis[(1,3-benzothiazol-2-yl)] carbonotrithioate (CAS 52739-89-6) is a chemical compound with molecular formula C15H8N2S5 and molecular weight 375.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1,3-benzothiazol-2-ylsulfanyl)methanethione
Also Known As: bis(1,3-benzothiazol-2-ylsulfanyl)methanethione, Bis[(1,3-benzothiazol-2-yl)] carbonotrithioate, Bis(1,3-benzothiazol-2-yl) trithiocarbonate, Bis(1,3-benzothiazol-2-yl) carbonotrithioate, J2.761.546E
| Molecular Formula | C15H8N2S5 |
|---|---|
| Molecular Weight | 375.93 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.9291 |
| Heavy Atoms | 22 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 52739-89-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC(=S)SC3=NC4=CC=CC=C4S3 |
| InChIKey | IDEZLPMZZCWGFY-UHFFFAOYSA-N |
Product Overview
Bis[(1,3-benzothiazol-2-yl)] carbonotrithioate (CAS 52739-89-6), with molecular formula C15H8N2S5 and molecular weight 375.93 g/mol. IUPAC: bis(1,3-benzothiazol-2-ylsulfanyl)methanethione.
Chemical Property Profile of Bis[(1,3-benzothiazol-2-yl)] carbonotrithioate
Property Insights of Bis[(1,3-benzothiazol-2-yl)] carbonotrithioate
The XLogP value of 6.9 indicates that Bis[(1,3-benzothiazol-2-yl)] carbonotrithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 165.0 Ų indicates high polarity, suggesting Bis[(1,3-benzothiazol-2-yl)] carbonotrithioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis[(1,3-benzothiazol-2-yl)] carbonotrithioate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis[(1,3-benzothiazol-2-yl)] carbonotrithioate?
The CAS number of Bis[(1,3-benzothiazol-2-yl)] carbonotrithioate is 52739-89-6.
What is the molecular formula of Bis[(1,3-benzothiazol-2-yl)] carbonotrithioate?
The molecular formula of Bis[(1,3-benzothiazol-2-yl)] carbonotrithioate is C15H8N2S5.
What is the molecular weight of Bis[(1,3-benzothiazol-2-yl)] carbonotrithioate?
The molecular weight of Bis[(1,3-benzothiazol-2-yl)] carbonotrithioate is 375.93 g/mol.
Where can I buy Bis[(1,3-benzothiazol-2-yl)] carbonotrithioate?
You can request a quote for Bis[(1,3-benzothiazol-2-yl)] carbonotrithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis[(1,3-benzothiazol-2-yl)] carbonotrithioate?
Yes, KEHONG BIO provides custom synthesis services for Bis[(1,3-benzothiazol-2-yl)] carbonotrithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.