![Propyl [(2-thioxobenzo[d]thiazol-3(2H)-yl)methyl] cyanocarbonimidodithioate structure](/static/products/3532/353254-69-0.webp)
Propyl [(2-thioxobenzo[d]thiazol-3(2H)-yl)methyl] cyanocarbonimidodithioate
TL;DR: Propyl [(2-thioxobenzo[d]thiazol-3(2H)-yl)methyl] cyanocarbonimidodithioate (CAS 353254-69-0) is a chemical compound with molecular formula C13H13N3S4 and molecular weight 339.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[propylsulfanyl-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylsulfanyl]methylidene]cyanamide
Also Known As: Propyl [(2-thioxobenzo[d]thiazol-3(2H)-yl)methyl] cyanocarbonimidodithioate, AI-067/31569024, [propylsulfanyl-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylsulfanyl]methylidene]cyanamide, propyl (2-thioxo-1,3-benzothiazol-3(2H)-yl)methyl cyanodithioimidocarbonate, propyl [(2-thioxobenzo[d]thiazol-3(2h)-yl)methyl]cyanocarbonimidodithioate
| Molecular Formula | C13H13N3S4 |
|---|---|
| Molecular Weight | 339.00 g/mol |
| LogP | 5.10327 |
| Topological Polar Surface Area | 41.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.99924 |
| Heavy Atoms | 20 |
| Complexity | 708.20996 |
Chemical Identifiers
| CAS Number | 353254-69-0 |
|---|---|
| SMILES | CCCSC(=NC#N)SCN1C2=CC=CC=C2SC1=S |
Product Overview
Propyl [(2-thioxobenzo[d]thiazol-3(2H)-yl)methyl] cyanocarbonimidodithioate (CAS 353254-69-0), with molecular formula C13H13N3S4 and molecular weight 339.00 g/mol. IUPAC: [propylsulfanyl-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylsulfanyl]methylidene]cyanamide.
Chemical Property Profile of Propyl [(2-thioxobenzo[d]thiazol-3(2H)-yl)methyl] cyanocarbonimidodithioate
Property Insights of Propyl [(2-thioxobenzo[d]thiazol-3(2H)-yl)methyl] cyanocarbonimidodithioate
The XLogP value of 5.10327 indicates that Propyl [(2-thioxobenzo[d]thiazol-3(2H)-yl)methyl] cyanocarbonimidodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.08 Ų, Propyl [(2-thioxobenzo[d]thiazol-3(2H)-yl)methyl] cyanocarbonimidodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl [(2-thioxobenzo[d]thiazol-3(2H)-yl)methyl] cyanocarbonimidodithioate 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 Propyl [(2-thioxobenzo[d]thiazol-3(2H)-yl)methyl] cyanocarbonimidodithioate?
The CAS number of Propyl [(2-thioxobenzo[d]thiazol-3(2H)-yl)methyl] cyanocarbonimidodithioate is 353254-69-0.
What is the molecular formula of Propyl [(2-thioxobenzo[d]thiazol-3(2H)-yl)methyl] cyanocarbonimidodithioate?
The molecular formula of Propyl [(2-thioxobenzo[d]thiazol-3(2H)-yl)methyl] cyanocarbonimidodithioate is C13H13N3S4.
What is the molecular weight of Propyl [(2-thioxobenzo[d]thiazol-3(2H)-yl)methyl] cyanocarbonimidodithioate?
The molecular weight of Propyl [(2-thioxobenzo[d]thiazol-3(2H)-yl)methyl] cyanocarbonimidodithioate is 339.00 g/mol.
Where can I buy Propyl [(2-thioxobenzo[d]thiazol-3(2H)-yl)methyl] cyanocarbonimidodithioate?
You can request a quote for Propyl [(2-thioxobenzo[d]thiazol-3(2H)-yl)methyl] cyanocarbonimidodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl [(2-thioxobenzo[d]thiazol-3(2H)-yl)methyl] cyanocarbonimidodithioate?
Yes, KEHONG BIO provides custom synthesis services for Propyl [(2-thioxobenzo[d]thiazol-3(2H)-yl)methyl] cyanocarbonimidodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.