![S-[[(2-Phenylethyl)amino]thioxomethyl]-L-cysteine structure](/static/products/533/53330-02-2.png)
S-[[(2-Phenylethyl)amino]thioxomethyl]-L-cysteine
TL;DR: S-[[(2-Phenylethyl)amino]thioxomethyl]-L-cysteine (CAS 53330-02-2) is a chemical compound with molecular formula C12H16N2O2S2 and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-amino-3-(2-phenylethylcarbamothioylsulfanyl)propanoic acid
Also Known As: PEITC-Cys, S-(N-PhenethylthiocarbaMoyl)-L-cysteine, S-[(2-phenylethyl)carbamothioyl]-L-cysteine, S-(N-Phenethylthiocarbamoyl)cysteine, S-(Phenethylcarbamothioyl)-L-cysteine
| Molecular Formula | C12H16N2O2S2 |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 1.2487 |
| Topological Polar Surface Area | 75.35 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.0653 |
| Heavy Atoms | 18 |
| Complexity | 398.3237 |
Chemical Identifiers
| CAS Number | 53330-02-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=S)SC[C@@H](C(=O)O)N |
Product Overview
S-[[(2-Phenylethyl)amino]thioxomethyl]-L-cysteine (CAS 53330-02-2), with molecular formula C12H16N2O2S2 and molecular weight 284.07 g/mol. IUPAC: (2R)-2-amino-3-(2-phenylethylcarbamothioylsulfanyl)propanoic acid.
Chemical Property Profile of S-[[(2-Phenylethyl)amino]thioxomethyl]-L-cysteine
Property Insights of S-[[(2-Phenylethyl)amino]thioxomethyl]-L-cysteine
The XLogP value of 1.2487 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-[[(2-Phenylethyl)amino]thioxomethyl]-L-cysteine. The TPSA of 75.35 Ų falls within the moderate polarity range, balancing permeability and solubility for S-[[(2-Phenylethyl)amino]thioxomethyl]-L-cysteine. Following Lipinski's Rule of Five, S-[[(2-Phenylethyl)amino]thioxomethyl]-L-cysteine 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
Frequently Asked Questions
What is the CAS number of S-[[(2-Phenylethyl)amino]thioxomethyl]-L-cysteine?
The CAS number of S-[[(2-Phenylethyl)amino]thioxomethyl]-L-cysteine is 53330-02-2.
What is the molecular formula of S-[[(2-Phenylethyl)amino]thioxomethyl]-L-cysteine?
The molecular formula of S-[[(2-Phenylethyl)amino]thioxomethyl]-L-cysteine is C12H16N2O2S2.
What is the molecular weight of S-[[(2-Phenylethyl)amino]thioxomethyl]-L-cysteine?
The molecular weight of S-[[(2-Phenylethyl)amino]thioxomethyl]-L-cysteine is 284.07 g/mol.
Where can I buy S-[[(2-Phenylethyl)amino]thioxomethyl]-L-cysteine?
You can request a quote for S-[[(2-Phenylethyl)amino]thioxomethyl]-L-cysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-[[(2-Phenylethyl)amino]thioxomethyl]-L-cysteine?
Yes, KEHONG BIO provides custom synthesis services for S-[[(2-Phenylethyl)amino]thioxomethyl]-L-cysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.