Thiocaine
TL;DR: Thiocaine (CAS 120-49-0) is a chemical compound with molecular formula C13H20N2OS and molecular weight 252.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-(diethylamino)ethyl] 4-aminobenzenecarbothioate
Also Known As: Thiocaine, Thicaine, Thiocain, USAF A-9870, beta-Diethylaminoethyl p-aminothiobenzoate
| Molecular Formula | C13H20N2OS |
|---|---|
| Molecular Weight | 252.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 71.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 252.12964 |
| Heavy Atoms | 17 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 120-49-0 |
|---|---|
| SMILES | CCN(CC)CCSC(=O)C1=CC=C(C=C1)N |
| InChIKey | KGFZGOVGODRJEE-UHFFFAOYSA-N |
Product Overview
Thiocaine (CAS 120-49-0), with molecular formula C13H20N2OS and molecular weight 252.13 g/mol. IUPAC: S-[2-(diethylamino)ethyl] 4-aminobenzenecarbothioate.
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
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 252.13 g/mol.
Where can I buy Thiocaine?
You can request a quote for Thiocaine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocaine?
Yes, KEHONG BIO provides custom synthesis services for Thiocaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.