N-(2-phenylethyl)-dithiocarbamic acid
TL;DR: N-(2-phenylethyl)-dithiocarbamic acid (CAS 19457-11-5) is a chemical compound with molecular formula C9H11NS2 and molecular weight 197.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethylcarbamodithioic acid
Also Known As: phenethyl-dithiocarbamic acid, phenethylcarbamodithioic acid, N-Phenethyldithiocarbamic acid, (phenethylamino)methanedithioic Acid, N-(2-phenylethyl)-dithiocarbamic acid
| Molecular Formula | C9H11NS2 |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 2.0334 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.0333 |
| Heavy Atoms | 12 |
| Complexity | 245.96527 |
Chemical Identifiers
| CAS Number | 19457-11-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=S)S |
Product Overview
N-(2-phenylethyl)-dithiocarbamic acid (CAS 19457-11-5), with molecular formula C9H11NS2 and molecular weight 197.03 g/mol. IUPAC: 2-phenylethylcarbamodithioic acid.
Chemical Property Profile of N-(2-phenylethyl)-dithiocarbamic acid
Property Insights of N-(2-phenylethyl)-dithiocarbamic acid
The XLogP value of 2.0334 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-phenylethyl)-dithiocarbamic acid. With a topological polar surface area (TPSA) of 12.03 Ų, N-(2-phenylethyl)-dithiocarbamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-phenylethyl)-dithiocarbamic acid has 2 hydrogen bond donor(s) and 1 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 N-(2-phenylethyl)-dithiocarbamic acid?
The CAS number of N-(2-phenylethyl)-dithiocarbamic acid is 19457-11-5.
What is the molecular formula of N-(2-phenylethyl)-dithiocarbamic acid?
The molecular formula of N-(2-phenylethyl)-dithiocarbamic acid is C9H11NS2.
What is the molecular weight of N-(2-phenylethyl)-dithiocarbamic acid?
The molecular weight of N-(2-phenylethyl)-dithiocarbamic acid is 197.03 g/mol.
Where can I buy N-(2-phenylethyl)-dithiocarbamic acid?
You can request a quote for N-(2-phenylethyl)-dithiocarbamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-phenylethyl)-dithiocarbamic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(2-phenylethyl)-dithiocarbamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.