Propyl propane thiosulfonate
TL;DR: Propyl propane thiosulfonate (CAS 1113-13-9) is a chemical compound with molecular formula C6H14O2S2 and molecular weight 182.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-propylsulfonylsulfanylpropane
Also Known As: Proallium SO DMC, Propyl propane thiosulfonate, 1-Propanesulfonothioic acid, S-propyl ester, S-Propyl propane-1-sulfonothioate, dipropyl thiosulfonate
| Molecular Formula | C6H14O2S2 |
|---|---|
| Molecular Weight | 182.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 182.04352 |
| Heavy Atoms | 10 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 1113-13-9 |
|---|---|
| SMILES | CCCSS(=O)(=O)CCC |
| InChIKey | OUIASSQOLAEHIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl propane thiosulfonate (CAS 1113-13-9), with molecular formula C6H14O2S2 and molecular weight 182.04 g/mol. IUPAC: 1-propylsulfonylsulfanylpropane.
Chemical Property Profile of Propyl propane thiosulfonate
Property Insights of Propyl propane thiosulfonate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl propane thiosulfonate. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Propyl propane thiosulfonate. Following Lipinski's Rule of Five, Propyl propane thiosulfonate 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 Propyl propane thiosulfonate?
The CAS number of Propyl propane thiosulfonate is 1113-13-9.
What is the molecular formula of Propyl propane thiosulfonate?
The molecular formula of Propyl propane thiosulfonate is C6H14O2S2.
What is the molecular weight of Propyl propane thiosulfonate?
The molecular weight of Propyl propane thiosulfonate is 182.04 g/mol.
Where can I buy Propyl propane thiosulfonate?
You can request a quote for Propyl propane thiosulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl propane thiosulfonate?
Yes, KEHONG BIO provides custom synthesis services for Propyl propane thiosulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.