S-(4-tert-Butylphenyl) dimethylcarbamothioate
TL;DR: S-(4-tert-Butylphenyl) dimethylcarbamothioate (CAS 13511-96-1) is a chemical compound with molecular formula C13H19NOS and molecular weight 237.11873 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-(4-tert-butylphenyl) N,N-dimethylcarbamothioate
Also Known As: S-(4-tert-Butylphenyl) dimethylcarbamothioate, S-(4-tert-butylphenyl) dimethylthiocarbamate, S-(4-tert-butylphenyl) N,N-dimethylcarbamothioate, dimethylamino-methanethioic acid S-(4-tert-butyl-phenyl) ester
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H19NOS |
| Molecular Weight | 237.11873 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.11873 Da |
| Heavy Atoms | 16 |
| Complexity | 237.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)SC(=O)N(C)C |
| InChIKey | SNGMVGHOWOWUKR-UHFFFAOYSA-N |
Chemical Property Profile of S-(4-tert-Butylphenyl) dimethylcarbamothioate
Property Insights of S-(4-tert-Butylphenyl) dimethylcarbamothioate
The XLogP value of 3.9 indicates that S-(4-tert-Butylphenyl) dimethylcarbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, S-(4-tert-Butylphenyl) dimethylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(4-tert-Butylphenyl) dimethylcarbamothioate 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
What is the CAS number of S-(4-tert-Butylphenyl) dimethylcarbamothioate?
The CAS number of S-(4-tert-Butylphenyl) dimethylcarbamothioate is 13511-96-1.
What is the molecular formula of S-(4-tert-Butylphenyl) dimethylcarbamothioate?
The molecular formula of S-(4-tert-Butylphenyl) dimethylcarbamothioate is C13H19NOS.
What is the molecular weight of S-(4-tert-Butylphenyl) dimethylcarbamothioate?
The molecular weight of S-(4-tert-Butylphenyl) dimethylcarbamothioate is 237.11873 g/mol.
Where can I buy S-(4-tert-Butylphenyl) dimethylcarbamothioate?
You can request a quote for S-(4-tert-Butylphenyl) dimethylcarbamothioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-(4-tert-Butylphenyl) dimethylcarbamothioate?
Yes, CoreyChem provides custom synthesis services for S-(4-tert-Butylphenyl) dimethylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.