2-Thiaadamantane
TL;DR: 2-Thiaadamantane (CAS 281-25-4) is a chemical compound with molecular formula C1C2CC3CC1CC(C2)S3 and molecular weight 154.08162 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-thiatricyclo[3.3.1.13,7]decane
Also Known As: 2-Thiaadamantane, 2-Thiatricyclo(3.3.1.1(3,7))decane, 2-Thiatricyclo[3.3.1.13,7]decane, 2-thiatricyclo[3.3.1.1~3,7~]decane, 2-Thiatricyclo[3.3.1.1(3,7)]decane
Technical Specifications
| Molecular Formula | C1C2CC3CC1CC(C2)S3 |
| Molecular Weight | 154.08162 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.08162 Da |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
| SMILES | C1C2CC3CC1CC(C2)S3 |
| InChIKey | NOBCRSKNBOQNEL-UHFFFAOYSA-N |
Product Description
Applications: 2-Thiaadamantane is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Thiaadamantane (CAS 281-25-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A fine chemical supplied by CoreyChem, 2-Thiaadamantane (CAS 281-25-4) has the molecular formula C1C2CC3CC1CC(C2)S3 and a molecular weight of 154.08 g/mol. It is also known as 2-Thiaadamantane and 2-Thiatricyclo(3.3.1.1(3,7))decane.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2-Thiaadamantane
Property Insights of 2-Thiaadamantane
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thiaadamantane. With a topological polar surface area (TPSA) of 25.3 Ų, 2-Thiaadamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thiaadamantane 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
What is the CAS number of 2-Thiaadamantane?
The CAS number of 2-Thiaadamantane is 281-25-4.
What is the molecular formula of 2-Thiaadamantane?
The molecular formula of 2-Thiaadamantane is C1C2CC3CC1CC(C2)S3.
What is the molecular weight of 2-Thiaadamantane?
The molecular weight of 2-Thiaadamantane is 154.08162 g/mol.
What are the applications of 2-Thiaadamantane?
2-Thiaadamantane is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Thiaadamantane (CAS 281-25-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and...
Where can I buy 2-Thiaadamantane?
You can request a quote for 2-Thiaadamantane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Thiaadamantane?
Yes, CoreyChem provides custom synthesis services for 2-Thiaadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.