Carbamodithioic acid, diethyl-, 2-(phenylamino)-2-(phenylimino)ethyl ester
TL;DR: Carbamodithioic acid, diethyl-, 2-(phenylamino)-2-(phenylimino)ethyl ester (CAS 105858-86-4) is a chemical compound with molecular formula C19H23N3S2 and molecular weight 357.13333 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-anilino-2-phenyliminoethyl) N,N-diethylcarbamodithioate
Also Known As: 2-(Phenylamino)-2-(phenylimino)ethyl diethylcarbamodithioate, CARBAMODITHIOIC ACID, DIETHYL-, 2-(PHENYLAMINO)-2-(PHENYLIMINO)ETHYL ESTER, Diethylcarbamodithioic acid 2-(phenylamino)-2-(phenylimino)ethyl ester, (2-anilino-2-phenyliminoethyl) N,N-diethylcarbamodithioate, (2E)-2-Anilino-2-(phenylimino)ethyl diethylcarbamodithioate
Technical Specifications
| Molecular Formula | C19H23N3S2 |
| Molecular Weight | 357.13333 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 85.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 357.13333 Da |
| Heavy Atoms | 24 |
| Complexity | 395.0 |
| SMILES | CCN(CC)C(=S)SCC(=NC1=CC=CC=C1)NC2=CC=CC=C2 |
| InChIKey | GHKBYUPKUSXNKN-UHFFFAOYSA-N |
Chemical Property Profile of Carbamodithioic acid, diethyl-, 2-(phenylamino)-2-(phenylimino)ethyl ester
Property Insights of Carbamodithioic acid, diethyl-, 2-(phenylamino)-2-(phenylimino)ethyl ester
The XLogP value of 4.7 indicates that Carbamodithioic acid, diethyl-, 2-(phenylamino)-2-(phenylimino)ethyl ester 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 Carbamodithioic acid, diethyl-, 2-(phenylamino)-2-(phenylimino)ethyl ester. Following Lipinski's Rule of Five, Carbamodithioic acid, diethyl-, 2-(phenylamino)-2-(phenylimino)ethyl ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Carbamodithioic acid, diethyl-, 2-(phenylamino)-2-(phenylimino)ethyl ester?
The CAS number of Carbamodithioic acid, diethyl-, 2-(phenylamino)-2-(phenylimino)ethyl ester is 105858-86-4.
What is the molecular formula of Carbamodithioic acid, diethyl-, 2-(phenylamino)-2-(phenylimino)ethyl ester?
The molecular formula of Carbamodithioic acid, diethyl-, 2-(phenylamino)-2-(phenylimino)ethyl ester is C19H23N3S2.
What is the molecular weight of Carbamodithioic acid, diethyl-, 2-(phenylamino)-2-(phenylimino)ethyl ester?
The molecular weight of Carbamodithioic acid, diethyl-, 2-(phenylamino)-2-(phenylimino)ethyl ester is 357.13333 g/mol.
Where can I buy Carbamodithioic acid, diethyl-, 2-(phenylamino)-2-(phenylimino)ethyl ester?
You can request a quote for Carbamodithioic acid, diethyl-, 2-(phenylamino)-2-(phenylimino)ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbamodithioic acid, diethyl-, 2-(phenylamino)-2-(phenylimino)ethyl ester?
Yes, CoreyChem provides custom synthesis services for Carbamodithioic acid, diethyl-, 2-(phenylamino)-2-(phenylimino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.