Diisopropyl carbonotrithioate
TL;DR: Diisopropyl carbonotrithioate (CAS 2314-51-4) is a chemical compound with molecular formula C7H14S3 and molecular weight 194.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(propan-2-ylsulfanyl)methanethione
Also Known As: Diisopropyl trithiocarbonate, Diisopropyl carbonotrithioate, Diisopropyl trithiocarbonate #, S,S-diisopropyl trithiocarbonate, bis(propan-2-ylsulfanyl)methanethione
| Molecular Formula | C7H14S3 |
|---|---|
| Molecular Weight | 194.03 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.02576 |
| Heavy Atoms | 10 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 2314-51-4 |
|---|---|
| SMILES | CC(C)SC(=S)SC(C)C |
| InChIKey | CSOHKMUYVMPBRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diisopropyl carbonotrithioate (CAS 2314-51-4), with molecular formula C7H14S3 and molecular weight 194.03 g/mol. IUPAC: bis(propan-2-ylsulfanyl)methanethione.
Chemical Property Profile of Diisopropyl carbonotrithioate
Property Insights of Diisopropyl carbonotrithioate
The XLogP value of 3.8 indicates that Diisopropyl carbonotrithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diisopropyl carbonotrithioate. Following Lipinski's Rule of Five, Diisopropyl carbonotrithioate has 0 hydrogen bond donor(s) and 3 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 Diisopropyl carbonotrithioate?
The CAS number of Diisopropyl carbonotrithioate is 2314-51-4.
What is the molecular formula of Diisopropyl carbonotrithioate?
The molecular formula of Diisopropyl carbonotrithioate is C7H14S3.
What is the molecular weight of Diisopropyl carbonotrithioate?
The molecular weight of Diisopropyl carbonotrithioate is 194.03 g/mol.
Where can I buy Diisopropyl carbonotrithioate?
You can request a quote for Diisopropyl carbonotrithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisopropyl carbonotrithioate?
Yes, KEHONG BIO provides custom synthesis services for Diisopropyl carbonotrithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.