S-Benzyl (3-methyl-1-adamantyl)thiocarbamate
TL;DR: S-Benzyl (3-methyl-1-adamantyl)thiocarbamate (CAS 136860-40-7) is a chemical compound with molecular formula C19H25NOS and molecular weight 315.16568 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-benzyl N-(3-methyl-1-adamantyl)carbamothioate
Also Known As: S-Benzyl (3-methyl-1-adamantyl)thiocarbamate, S-benzyl N-(3-methyl-1-adamantyl)carbamothioate, S-benzyl ((1s,3s,5R,7S)-3-methyladamantan-1-yl)carbamothioate
Technical Specifications
| Molecular Formula | C19H25NOS |
| Molecular Weight | 315.16568 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.16568 Da |
| Heavy Atoms | 22 |
| Complexity | 429.0 |
| SMILES | CC12CC3CC(C1)CC(C3)(C2)NC(=O)SCC4=CC=CC=C4 |
| InChIKey | NMLBPNCMQMHNKY-UHFFFAOYSA-N |
Chemical Property Profile of S-Benzyl (3-methyl-1-adamantyl)thiocarbamate
Property Insights of S-Benzyl (3-methyl-1-adamantyl)thiocarbamate
The XLogP value of 5.0 indicates that S-Benzyl (3-methyl-1-adamantyl)thiocarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, S-Benzyl (3-methyl-1-adamantyl)thiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Benzyl (3-methyl-1-adamantyl)thiocarbamate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of S-Benzyl (3-methyl-1-adamantyl)thiocarbamate?
The CAS number of S-Benzyl (3-methyl-1-adamantyl)thiocarbamate is 136860-40-7.
What is the molecular formula of S-Benzyl (3-methyl-1-adamantyl)thiocarbamate?
The molecular formula of S-Benzyl (3-methyl-1-adamantyl)thiocarbamate is C19H25NOS.
What is the molecular weight of S-Benzyl (3-methyl-1-adamantyl)thiocarbamate?
The molecular weight of S-Benzyl (3-methyl-1-adamantyl)thiocarbamate is 315.16568 g/mol.
Where can I buy S-Benzyl (3-methyl-1-adamantyl)thiocarbamate?
You can request a quote for S-Benzyl (3-methyl-1-adamantyl)thiocarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-Benzyl (3-methyl-1-adamantyl)thiocarbamate?
Yes, CoreyChem provides custom synthesis services for S-Benzyl (3-methyl-1-adamantyl)thiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.