2,2-Dimethylthiolane-3-carbaldehyde
TL;DR: 2,2-Dimethylthiolane-3-carbaldehyde (CAS 83413-93-8) is a chemical compound with molecular formula C7H12OS and molecular weight 144.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylthiolane-3-carbaldehyde
Also Known As: 2,2-dimethylthiolane-3-carbaldehyde, 2,2-DIMETHYL-TETRAHYDROTHIOPHENE-3-CARBOXALDEHYDE, 2,2-Dimethyl-tetrahydro-3-thiophenecarboxaldehyde, 3-Thiophenecarboxaldehyde, tetrahydro-2,2-dimethyl- (9CI)
| Molecular Formula | C7H12OS |
|---|---|
| Molecular Weight | 144.06 g/mol |
| LogP | 1.717 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 144.06088 |
| Heavy Atoms | 9 |
| Complexity | 120.08456 |
Chemical Identifiers
| CAS Number | 83413-93-8 |
|---|---|
| SMILES | CC1(C(CCS1)C=O)C |
Product Overview
2,2-Dimethylthiolane-3-carbaldehyde (CAS 83413-93-8), with molecular formula C7H12OS and molecular weight 144.06 g/mol. IUPAC: 2,2-dimethylthiolane-3-carbaldehyde.
Chemical Property Profile of 2,2-Dimethylthiolane-3-carbaldehyde
Property Insights of 2,2-Dimethylthiolane-3-carbaldehyde
The XLogP value of 1.717 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethylthiolane-3-carbaldehyde. With a topological polar surface area (TPSA) of 17.07 Ų, 2,2-Dimethylthiolane-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethylthiolane-3-carbaldehyde has 0 hydrogen bond donor(s) and 2 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 2,2-Dimethylthiolane-3-carbaldehyde?
The CAS number of 2,2-Dimethylthiolane-3-carbaldehyde is 83413-93-8.
What is the molecular formula of 2,2-Dimethylthiolane-3-carbaldehyde?
The molecular formula of 2,2-Dimethylthiolane-3-carbaldehyde is C7H12OS.
What is the molecular weight of 2,2-Dimethylthiolane-3-carbaldehyde?
The molecular weight of 2,2-Dimethylthiolane-3-carbaldehyde is 144.06 g/mol.
Where can I buy 2,2-Dimethylthiolane-3-carbaldehyde?
You can request a quote for 2,2-Dimethylthiolane-3-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethylthiolane-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethylthiolane-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.