N~1~,N~2~-bis(4-methylphenyl)ethanedithioamide
TL;DR: N~1~,N~2~-bis(4-methylphenyl)ethanedithioamide (CAS 57050-28-9) is a chemical compound with molecular formula C16H16N2S2 and molecular weight 300.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N'-bis(4-methylphenyl)ethanedithioamide
Also Known As: N,N'-bis(p-tolyl)ethanedithioamide, N~1~,N~2~-bis(4-methylphenyl)ethanedithioamide, N,N'-bis(4-methylphenyl)ethanedithioamide, N,N/'-Bis(4-methylphenyl)ethanedithioamide, N,N'-bis(4-methylphenyl)ethanediimidothioic acid
| Molecular Formula | C16H16N2S2 |
|---|---|
| Molecular Weight | 300.08 g/mol |
| LogP | 4.48224 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.0755 |
| Heavy Atoms | 20 |
| Complexity | 558.43005 |
Chemical Identifiers
| CAS Number | 57050-28-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)C(=S)NC2=CC=C(C=C2)C |
Product Overview
N~1~,N~2~-bis(4-methylphenyl)ethanedithioamide (CAS 57050-28-9), with molecular formula C16H16N2S2 and molecular weight 300.08 g/mol. IUPAC: N,N'-bis(4-methylphenyl)ethanedithioamide.
Chemical Property Profile of N~1~,N~2~-bis(4-methylphenyl)ethanedithioamide
Property Insights of N~1~,N~2~-bis(4-methylphenyl)ethanedithioamide
The XLogP value of 4.48224 indicates that N~1~,N~2~-bis(4-methylphenyl)ethanedithioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.06 Ų, N~1~,N~2~-bis(4-methylphenyl)ethanedithioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N~1~,N~2~-bis(4-methylphenyl)ethanedithioamide has 2 hydrogen bond donor(s) and 2 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~1~,N~2~-bis(4-methylphenyl)ethanedithioamide?
The CAS number of N~1~,N~2~-bis(4-methylphenyl)ethanedithioamide is 57050-28-9.
What is the molecular formula of N~1~,N~2~-bis(4-methylphenyl)ethanedithioamide?
The molecular formula of N~1~,N~2~-bis(4-methylphenyl)ethanedithioamide is C16H16N2S2.
What is the molecular weight of N~1~,N~2~-bis(4-methylphenyl)ethanedithioamide?
The molecular weight of N~1~,N~2~-bis(4-methylphenyl)ethanedithioamide is 300.08 g/mol.
Where can I buy N~1~,N~2~-bis(4-methylphenyl)ethanedithioamide?
You can request a quote for N~1~,N~2~-bis(4-methylphenyl)ethanedithioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~1~,N~2~-bis(4-methylphenyl)ethanedithioamide?
Yes, KEHONG BIO provides custom synthesis services for N~1~,N~2~-bis(4-methylphenyl)ethanedithioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.