Phenylthiocarbamyl-S-ethylcysteine
TL;DR: Phenylthiocarbamyl-S-ethylcysteine (CAS 118573-61-8) is a chemical compound with molecular formula C12H16N2O2S2 and molecular weight 284.0653 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-3-ethylsulfanyl-2-(phenylcarbamothioylamino)propanoic acid
Also Known As: Ptcsec, Phenylthiocarbamyl-S-ethylcysteine, phenylthio-carbamyl-S-ethylcysteine, S-Ethyl-N-(phenylcarbamothioyl)-L-cysteine, (2R)-3-ethylsulfanyl-2-(phenylcarbamothioylamino)propanoic acid
Technical Specifications
| Molecular Formula | C12H16N2O2S2 |
| Molecular Weight | 284.0653 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.0653 Da |
| Heavy Atoms | 18 |
| Complexity | 281.0 |
| SMILES | CCSC[C@@H](C(=O)O)NC(=S)NC1=CC=CC=C1 |
| InChIKey | VXBLCJFXZZAMPK-JTQLQIEISA-N |
Chemical Property Profile of Phenylthiocarbamyl-S-ethylcysteine
Property Insights of Phenylthiocarbamyl-S-ethylcysteine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylthiocarbamyl-S-ethylcysteine. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylthiocarbamyl-S-ethylcysteine. Following Lipinski's Rule of Five, Phenylthiocarbamyl-S-ethylcysteine has 3 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 Phenylthiocarbamyl-S-ethylcysteine?
The CAS number of Phenylthiocarbamyl-S-ethylcysteine is 118573-61-8.
What is the molecular formula of Phenylthiocarbamyl-S-ethylcysteine?
The molecular formula of Phenylthiocarbamyl-S-ethylcysteine is C12H16N2O2S2.
What is the molecular weight of Phenylthiocarbamyl-S-ethylcysteine?
The molecular weight of Phenylthiocarbamyl-S-ethylcysteine is 284.0653 g/mol.
Where can I buy Phenylthiocarbamyl-S-ethylcysteine?
You can request a quote for Phenylthiocarbamyl-S-ethylcysteine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenylthiocarbamyl-S-ethylcysteine?
Yes, CoreyChem provides custom synthesis services for Phenylthiocarbamyl-S-ethylcysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.