Dipentamethylenethiuram disulfide
TL;DR: Dipentamethylenethiuram disulfide (CAS 94-37-1) is a chemical compound with molecular formula C12H20N2S4 and molecular weight 320.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
piperidine-1-carbothioylsulfanyl piperidine-1-carbodithioate
Also Known As: Dicyclopentamethylenethiuram disulfide, Dipentamethylenethiuram disulfide, 1-Piperidinethiocarbonyl disulfide, Bis(pentamethylene)thiuram disulfide, Bis(1-piperidylthiocarbonyl) disulfide
| Molecular Formula | C12H20N2S4 |
|---|---|
| Molecular Weight | 320.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.05093 |
| Heavy Atoms | 18 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 94-37-1 |
|---|---|
| SMILES | C1CCN(CC1)C(=S)SSC(=S)N2CCCCC2 |
| InChIKey | KNBRWWCHBRQLNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dipentamethylenethiuram disulfide (CAS 94-37-1), with molecular formula C12H20N2S4 and molecular weight 320.05 g/mol. IUPAC: piperidine-1-carbothioylsulfanyl piperidine-1-carbodithioate.
Chemical Property Profile of Dipentamethylenethiuram disulfide
Property Insights of Dipentamethylenethiuram disulfide
The XLogP value of 3.4 indicates that Dipentamethylenethiuram disulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dipentamethylenethiuram disulfide. Following Lipinski's Rule of Five, Dipentamethylenethiuram disulfide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dipentamethylenethiuram disulfide?
The CAS number of Dipentamethylenethiuram disulfide is 94-37-1.
What is the molecular formula of Dipentamethylenethiuram disulfide?
The molecular formula of Dipentamethylenethiuram disulfide is C12H20N2S4.
What is the molecular weight of Dipentamethylenethiuram disulfide?
The molecular weight of Dipentamethylenethiuram disulfide is 320.05 g/mol.
Where can I buy Dipentamethylenethiuram disulfide?
You can request a quote for Dipentamethylenethiuram disulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dipentamethylenethiuram disulfide?
Yes, KEHONG BIO provides custom synthesis services for Dipentamethylenethiuram disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.