1,3-Dithiane-2-carboxaldehyde
TL;DR: 1,3-Dithiane-2-carboxaldehyde (CAS 34906-12-2) is a chemical compound with molecular formula C5H8OS2 and molecular weight 148.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dithiane-2-carbaldehyde
Also Known As: 1,3-dithiane-2-carboxaldehyde, 1,3-dithiane-2-carbaldehyde, dithiane carboxaldehyde, 2-Formyl-1,3-dithiane, 1,3-Dithiane-2-carboxaldehyde (9CI)
| Molecular Formula | C5H8OS2 |
|---|---|
| Molecular Weight | 148.00 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 148.00166 |
| Heavy Atoms | 8 |
| Complexity | 78.0 |
Chemical Identifiers
| CAS Number | 34906-12-2 |
|---|---|
| SMILES | C1CSC(SC1)C=O |
| InChIKey | WRYSGNLHKMDHMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dithiane-2-carboxaldehyde (CAS 34906-12-2), with molecular formula C5H8OS2 and molecular weight 148.00 g/mol. IUPAC: 1,3-dithiane-2-carbaldehyde.
Chemical Property Profile of 1,3-Dithiane-2-carboxaldehyde
Property Insights of 1,3-Dithiane-2-carboxaldehyde
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dithiane-2-carboxaldehyde. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dithiane-2-carboxaldehyde. Following Lipinski's Rule of Five, 1,3-Dithiane-2-carboxaldehyde 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-Dithiane-2-carboxaldehyde?
The CAS number of 1,3-Dithiane-2-carboxaldehyde is 34906-12-2.
What is the molecular formula of 1,3-Dithiane-2-carboxaldehyde?
The molecular formula of 1,3-Dithiane-2-carboxaldehyde is C5H8OS2.
What is the molecular weight of 1,3-Dithiane-2-carboxaldehyde?
The molecular weight of 1,3-Dithiane-2-carboxaldehyde is 148.00 g/mol.
Where can I buy 1,3-Dithiane-2-carboxaldehyde?
You can request a quote for 1,3-Dithiane-2-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dithiane-2-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dithiane-2-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.