Thiocaine
TL;DR: Thiocaine (CAS 120-49-0) is a chemical compound with molecular formula C13H20N2OS and molecular weight 252.12964 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-[2-(diethylamino)ethyl] 4-aminobenzenecarbothioate
Also Known As: Thiocaine, Thicaine, Thiocain, USAF A-9870, beta-Diethylaminoethyl p-aminothiobenzoate
Technical Specifications
| Molecular Formula | C13H20N2OS |
| Molecular Weight | 252.12964 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 71.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 252.12964 Da |
| Heavy Atoms | 17 |
| Complexity | 223.0 |
| SMILES | CCN(CC)CCSC(=O)C1=CC=C(C=C1)N |
| InChIKey | KGFZGOVGODRJEE-UHFFFAOYSA-N |
Product Description
Applications: Thiocaine is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Thiocaine (CAS 120-49-0) is a fine chemical with the molecular formula C13H20N2OS and a molecular weight of 252.13 g/mol. Synonyms include Thiocaine and Thicaine.
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 Thiocaine
Property Insights of Thiocaine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocaine. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiocaine. Following Lipinski's Rule of Five, Thiocaine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Thiocaine?
The CAS number of Thiocaine is 120-49-0.
What is the molecular formula of Thiocaine?
The molecular formula of Thiocaine is C13H20N2OS.
What is the molecular weight of Thiocaine?
The molecular weight of Thiocaine is 252.12964 g/mol.
What are the applications of Thiocaine?
Thiocaine is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy Thiocaine?
You can request a quote for Thiocaine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thiocaine?
Yes, CoreyChem provides custom synthesis services for Thiocaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.