N-phenylpropanethioamide
TL;DR: N-phenylpropanethioamide (CAS 2955-69-3) is a chemical compound with molecular formula C9H11NS and molecular weight 165.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-phenylpropanethioamide
Also Known As: N-phenylpropanethioamide, N-Phenylthiopropionamide, N-Ethylcarbonothioylaniline, Propanethioamide,N-phenyl-, RefChem:364849
| Molecular Formula | C9H11NS |
|---|---|
| Molecular Weight | 165.06 g/mol |
| LogP | 2.8359 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.06122 |
| Heavy Atoms | 11 |
| Complexity | 230.57787 |
Chemical Identifiers
| CAS Number | 2955-69-3 |
|---|---|
| SMILES | CCC(=S)NC1=CC=CC=C1 |
Product Overview
N-phenylpropanethioamide (CAS 2955-69-3), with molecular formula C9H11NS and molecular weight 165.06 g/mol. IUPAC: N-phenylpropanethioamide.
Chemical Property Profile of N-phenylpropanethioamide
Property Insights of N-phenylpropanethioamide
The XLogP value of 2.8359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-phenylpropanethioamide. With a topological polar surface area (TPSA) of 12.03 Ų, N-phenylpropanethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-phenylpropanethioamide has 1 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-phenylpropanethioamide?
The CAS number of N-phenylpropanethioamide is 2955-69-3.
What is the molecular formula of N-phenylpropanethioamide?
The molecular formula of N-phenylpropanethioamide is C9H11NS.
What is the molecular weight of N-phenylpropanethioamide?
The molecular weight of N-phenylpropanethioamide is 165.06 g/mol.
Where can I buy N-phenylpropanethioamide?
You can request a quote for N-phenylpropanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-phenylpropanethioamide?
Yes, KEHONG BIO provides custom synthesis services for N-phenylpropanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.