RefChem:1081010
TL;DR: RefChem:1081010 (CAS 105858-89-7) is a chemical compound with molecular formula C21H27N3OS2 and molecular weight 401.15955 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-anilino-2-(4-ethoxyphenyl)iminoethyl] N,N-diethylcarbamodithioate
Also Known As: [2-anilino-2-(4-ethoxyphenyl)iminoethyl] N,N-diethylcarbamodithioate|Diethylcarbamodithioic acid 2-((4-ethoxyphenyl)amino)-2-(phenylimino)ethyl ester|Carbamodithioic acid, diethyl-, 2-((4-ethoxyphenyl)amino)-2-(phenylimino)ethyl ester|2-(4-Ethoxyanilino)-2-(phenylimino)ethyl diethylcarbamodithioate|CARBAMODITHIOIC ACID, DIETHYL-, 2-((4-ETHOXYPHENYL)AMINO)-2-(PHENYLIMI NO)ETHYL E|(2e)-2-[(4-ethoxyphenyl)amino]-2-(phenylimino)ethyl diethylcarbamodithioate|Carbamodithioic acid,diethyl-,2-((4-methoxyphenyl)amino)-2-(phenylimino)ethyl ester|BRN 5990823|CHEMBL163517
Technical Specifications
| Molecular Formula | C21H27N3OS2 |
| Molecular Weight | 401.15955 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 94.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 401.15955 Da |
| Heavy Atoms | 27 |
| Complexity | 454.0 |
| SMILES | CCN(CC)C(=S)SCC(=NC1=CC=C(C=C1)OCC)NC2=CC=CC=C2 |
| InChIKey | VBOBICYJIZDBSY-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1081010
Property Insights of RefChem:1081010
The XLogP value of 5.1 indicates that RefChem:1081010 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1081010. Following Lipinski's Rule of Five, RefChem:1081010 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1081010?
The CAS number of RefChem:1081010 is 105858-89-7.
What is the molecular formula of RefChem:1081010?
The molecular formula of RefChem:1081010 is C21H27N3OS2.
What is the molecular weight of RefChem:1081010?
The molecular weight of RefChem:1081010 is 401.15955 g/mol.
Where can I buy RefChem:1081010?
You can request a quote for RefChem:1081010 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1081010?
Yes, CoreyChem provides custom synthesis services for RefChem:1081010 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.