![3-{[(2-Phenylethyl)amino]thioxomethylthio}propanamide structure](/static/products/1002/100253-57-4.webp)
3-{[(2-Phenylethyl)amino]thioxomethylthio}propanamide
TL;DR: 3-{[(2-Phenylethyl)amino]thioxomethylthio}propanamide (CAS 100253-57-4) is a chemical compound with molecular formula C12H16N2OS2 and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-amino-3-oxopropyl) N-(2-phenylethyl)carbamodithioate
Also Known As: 3-{[(2-phenylethyl)amino]thioxomethylthio}propanamide, AB00110059-01, (3-amino-3-oxopropyl) N-phenethylcarbamodithioate, 3-amino-3-oxopropyl (2-phenylethyl)dithiocarbamate
| Molecular Formula | C12H16N2OS2 |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 1.7122 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 268.0704 |
| Heavy Atoms | 17 |
| Complexity | 368.0282 |
Chemical Identifiers
| CAS Number | 100253-57-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=S)SCCC(=O)N |
Product Overview
3-{[(2-Phenylethyl)amino]thioxomethylthio}propanamide (CAS 100253-57-4), with molecular formula C12H16N2OS2 and molecular weight 268.07 g/mol. IUPAC: (3-amino-3-oxopropyl) N-(2-phenylethyl)carbamodithioate.
Chemical Property Profile of 3-{[(2-Phenylethyl)amino]thioxomethylthio}propanamide
Property Insights of 3-{[(2-Phenylethyl)amino]thioxomethylthio}propanamide
The XLogP value of 1.7122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(2-Phenylethyl)amino]thioxomethylthio}propanamide. With a topological polar surface area (TPSA) of 55.12 Ų, 3-{[(2-Phenylethyl)amino]thioxomethylthio}propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[(2-Phenylethyl)amino]thioxomethylthio}propanamide 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
Frequently Asked Questions
What is the CAS number of 3-{[(2-Phenylethyl)amino]thioxomethylthio}propanamide?
The CAS number of 3-{[(2-Phenylethyl)amino]thioxomethylthio}propanamide is 100253-57-4.
What is the molecular formula of 3-{[(2-Phenylethyl)amino]thioxomethylthio}propanamide?
The molecular formula of 3-{[(2-Phenylethyl)amino]thioxomethylthio}propanamide is C12H16N2OS2.
What is the molecular weight of 3-{[(2-Phenylethyl)amino]thioxomethylthio}propanamide?
The molecular weight of 3-{[(2-Phenylethyl)amino]thioxomethylthio}propanamide is 268.07 g/mol.
Where can I buy 3-{[(2-Phenylethyl)amino]thioxomethylthio}propanamide?
You can request a quote for 3-{[(2-Phenylethyl)amino]thioxomethylthio}propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(2-Phenylethyl)amino]thioxomethylthio}propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(2-Phenylethyl)amino]thioxomethylthio}propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.