Bis(propan-2-ylsulfanyl)methanone
TL;DR: Bis(propan-2-ylsulfanyl)methanone (CAS 16118-33-5) is a chemical compound with molecular formula C7H14OS2 and molecular weight 178.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(propan-2-ylsulfanyl)methanone
Also Known As: bis(propan-2-ylsulfanyl)methanone, S,S-diisopropyl carbonodithioate, Carbonic acid, dithio-, S,S-diisopropyl ester, S,S-Diisopropyl dithiocarbonate #, Dithiocarbonic acid S,S-diisopropyl ester
| Molecular Formula | C7H14OS2 |
|---|---|
| Molecular Weight | 178.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.04861 |
| Heavy Atoms | 10 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 16118-33-5 |
|---|---|
| SMILES | CC(C)SC(=O)SC(C)C |
| InChIKey | RIUPBBIGXOLLCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(propan-2-ylsulfanyl)methanone (CAS 16118-33-5), with molecular formula C7H14OS2 and molecular weight 178.05 g/mol. IUPAC: bis(propan-2-ylsulfanyl)methanone.
Chemical Property Profile of Bis(propan-2-ylsulfanyl)methanone
Property Insights of Bis(propan-2-ylsulfanyl)methanone
The XLogP value of 3.2 indicates that Bis(propan-2-ylsulfanyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(propan-2-ylsulfanyl)methanone. Following Lipinski's Rule of Five, Bis(propan-2-ylsulfanyl)methanone 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 Bis(propan-2-ylsulfanyl)methanone?
The CAS number of Bis(propan-2-ylsulfanyl)methanone is 16118-33-5.
What is the molecular formula of Bis(propan-2-ylsulfanyl)methanone?
The molecular formula of Bis(propan-2-ylsulfanyl)methanone is C7H14OS2.
What is the molecular weight of Bis(propan-2-ylsulfanyl)methanone?
The molecular weight of Bis(propan-2-ylsulfanyl)methanone is 178.05 g/mol.
Where can I buy Bis(propan-2-ylsulfanyl)methanone?
You can request a quote for Bis(propan-2-ylsulfanyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(propan-2-ylsulfanyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for Bis(propan-2-ylsulfanyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.