1,3-Dithiol-2-one
TL;DR: 1,3-Dithiol-2-one (CAS 2314-40-1) is a chemical compound with molecular formula C1=CSC(=O)S1 and molecular weight 117.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dithiol-2-one
Also Known As: 1,3-Dithiol-2-one, 2H-1,3-dithiol-2-one, 3-Jod-4-methoxy-benzaldehyd, RefChem:72835, InChI=1/C3H2OS2/c4-3-5-1-2-6-3/h1-2
| Molecular Formula | C1=CSC(=O)S1 |
|---|---|
| Molecular Weight | 117.95 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 117.954704 |
| Heavy Atoms | 6 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 2314-40-1 |
|---|---|
| SMILES | C1=CSC(=O)S1 |
| InChIKey | FWLLWHCFLMXGDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dithiol-2-one (CAS 2314-40-1), with molecular formula C1=CSC(=O)S1 and molecular weight 117.95 g/mol. IUPAC: 1,3-dithiol-2-one.
Chemical Property Profile of 1,3-Dithiol-2-one
Property Insights of 1,3-Dithiol-2-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dithiol-2-one. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dithiol-2-one. Following Lipinski's Rule of Five, 1,3-Dithiol-2-one 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 1,3-Dithiol-2-one?
The CAS number of 1,3-Dithiol-2-one is 2314-40-1.
What is the molecular formula of 1,3-Dithiol-2-one?
The molecular formula of 1,3-Dithiol-2-one is C1=CSC(=O)S1.
What is the molecular weight of 1,3-Dithiol-2-one?
The molecular weight of 1,3-Dithiol-2-one is 117.95 g/mol.
Where can I buy 1,3-Dithiol-2-one?
You can request a quote for 1,3-Dithiol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dithiol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dithiol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.