RefChem:1081011
TL;DR: RefChem:1081011 (CAS 105858-87-5) is a chemical compound with molecular formula C20H25N3S2 and molecular weight 371.149 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-anilino-2-(4-methylphenyl)iminoethyl] N,N-diethylcarbamodithioate
Also Known As: Diethylcarbamodithioic acid 2-((4-methylphenyl)amino)-2-(phenylimino)ethyl ester, Carbamodithioic acid, diethyl-, 2-((4-methylphenyl)amino)-2-(phenylimino)ethyl ester, 2-(4-Methylanilino)-2-(phenylimino)ethyl diethylcarbamodithioate, [2-anilino-2-(4-methylphenyl)iminoethyl] N,N-diethylcarbamodithioate, BRN 5980856
Technical Specifications
| Molecular Formula | C20H25N3S2 |
| Molecular Weight | 371.149 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 85.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 371.149 Da |
| Heavy Atoms | 25 |
| Complexity | 421.0 |
| SMILES | CCN(CC)C(=S)SCC(=NC1=CC=C(C=C1)C)NC2=CC=CC=C2 |
| InChIKey | QMODFZIXFFBZNB-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1081011
Property Insights of RefChem:1081011
The XLogP value of 5.1 indicates that RefChem:1081011 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1081011. Following Lipinski's Rule of Five, RefChem:1081011 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1081011?
The CAS number of RefChem:1081011 is 105858-87-5.
What is the molecular formula of RefChem:1081011?
The molecular formula of RefChem:1081011 is C20H25N3S2.
What is the molecular weight of RefChem:1081011?
The molecular weight of RefChem:1081011 is 371.149 g/mol.
Where can I buy RefChem:1081011?
You can request a quote for RefChem:1081011 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1081011?
Yes, CoreyChem provides custom synthesis services for RefChem:1081011 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.