3,3-Dimethylthietane
TL;DR: 3,3-Dimethylthietane (CAS 13188-85-7) is a chemical compound with molecular formula C5H10S and molecular weight 102.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethylthietane
Also Known As: 3,3-Dimethylthietane, 3,3-dimethylthiethane, 3,3-dimethylthietan, Thietane, 3,3-dimethyl-, 3,3-dimethyl-thietane
| Molecular Formula | C5H10S |
|---|---|
| Molecular Weight | 102.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 102.05032 |
| Heavy Atoms | 6 |
| Complexity | 51.0 |
Chemical Identifiers
| CAS Number | 13188-85-7 |
|---|---|
| SMILES | CC1(CSC1)C |
| InChIKey | RPRIYERFOHERFT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Dimethylthietane (CAS 13188-85-7), with molecular formula C5H10S and molecular weight 102.05 g/mol. IUPAC: 3,3-dimethylthietane.
Chemical Property Profile of 3,3-Dimethylthietane
Property Insights of 3,3-Dimethylthietane
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethylthietane. With a topological polar surface area (TPSA) of 25.3 Ų, 3,3-Dimethylthietane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethylthietane has 0 hydrogen bond donor(s) and 1 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 3,3-Dimethylthietane?
The CAS number of 3,3-Dimethylthietane is 13188-85-7.
What is the molecular formula of 3,3-Dimethylthietane?
The molecular formula of 3,3-Dimethylthietane is C5H10S.
What is the molecular weight of 3,3-Dimethylthietane?
The molecular weight of 3,3-Dimethylthietane is 102.05 g/mol.
Where can I buy 3,3-Dimethylthietane?
You can request a quote for 3,3-Dimethylthietane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethylthietane?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethylthietane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.