1,3-Dithiane-2-carboxaldehyde, 2-methyl-
TL;DR: 1,3-Dithiane-2-carboxaldehyde, 2-methyl- (CAS 4882-97-7) is a chemical compound with molecular formula C6H10OS2 and molecular weight 162.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1,3-dithiane-2-carbaldehyde
Also Known As: 2-methyl-1,3-dithiane-2-carbaldehyde, 1,3-Dithiane-2-carboxaldehyde, 2-methyl-, 2-formyl-2-methyl-1,3-dithiane, 2-methyl-1,3-dithian-2-carboxaldehyde, 2-methyl-1,3-dithiane-2-carboxaldehyde
| Molecular Formula | C6H10OS2 |
|---|---|
| Molecular Weight | 162.02 g/mol |
| LogP | 1.7716 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.0173 |
| Heavy Atoms | 9 |
| Complexity | 107.62549 |
Chemical Identifiers
| CAS Number | 4882-97-7 |
|---|---|
| SMILES | CC1(SCCCS1)C=O |
Product Overview
1,3-Dithiane-2-carboxaldehyde, 2-methyl- (CAS 4882-97-7), with molecular formula C6H10OS2 and molecular weight 162.02 g/mol. IUPAC: 2-methyl-1,3-dithiane-2-carbaldehyde.
Chemical Property Profile of 1,3-Dithiane-2-carboxaldehyde, 2-methyl-
Property Insights of 1,3-Dithiane-2-carboxaldehyde, 2-methyl-
The XLogP value of 1.7716 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dithiane-2-carboxaldehyde, 2-methyl-. With a topological polar surface area (TPSA) of 17.07 Ų, 1,3-Dithiane-2-carboxaldehyde, 2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dithiane-2-carboxaldehyde, 2-methyl- 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, 2-methyl-?
The CAS number of 1,3-Dithiane-2-carboxaldehyde, 2-methyl- is 4882-97-7.
What is the molecular formula of 1,3-Dithiane-2-carboxaldehyde, 2-methyl-?
The molecular formula of 1,3-Dithiane-2-carboxaldehyde, 2-methyl- is C6H10OS2.
What is the molecular weight of 1,3-Dithiane-2-carboxaldehyde, 2-methyl-?
The molecular weight of 1,3-Dithiane-2-carboxaldehyde, 2-methyl- is 162.02 g/mol.
Where can I buy 1,3-Dithiane-2-carboxaldehyde, 2-methyl-?
You can request a quote for 1,3-Dithiane-2-carboxaldehyde, 2-methyl- 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, 2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dithiane-2-carboxaldehyde, 2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.