Carbaphethiol
TL;DR: Carbaphethiol (CAS 118104-82-8) is a chemical compound with molecular formula C16H18N2OS and molecular weight 286.11398 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
O-[(2S)-2-amino-3-phenylpropyl] N-phenylcarbamothioate
Also Known As: Carbaphethiol, 1-Amino-1-benzyl-2-mercaptoethane-S-phenylcarbamate, O-[(2S)-2-amino-3-phenylpropyl] N-phenylcarbamothioate, O-[(2S)-2-Amino-3-phenylpropyl] phenylcarbamothioate, Carbamothioic acid, phenyl-, S-(2-amino-3-phenylpropyl) ester
Technical Specifications
| Molecular Formula | C16H18N2OS |
| Molecular Weight | 286.11398 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 79.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 286.11398 Da |
| Heavy Atoms | 20 |
| Complexity | 286.0 |
| SMILES | C1=CC=C(C=C1)C[C@@H](COC(=S)NC2=CC=CC=C2)N |
| InChIKey | RNXJOHPVZIKWLE-AWEZNQCLSA-N |
Chemical Property Profile of Carbaphethiol
Property Insights of Carbaphethiol
The XLogP value of 3.2 indicates that Carbaphethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbaphethiol. Following Lipinski's Rule of Five, Carbaphethiol has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Carbaphethiol?
The CAS number of Carbaphethiol is 118104-82-8.
What is the molecular formula of Carbaphethiol?
The molecular formula of Carbaphethiol is C16H18N2OS.
What is the molecular weight of Carbaphethiol?
The molecular weight of Carbaphethiol is 286.11398 g/mol.
Where can I buy Carbaphethiol?
You can request a quote for Carbaphethiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbaphethiol?
Yes, CoreyChem provides custom synthesis services for Carbaphethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.