二乙基二硫代氨基甲酸二乙铵
TL;DR: 二乙基二硫代氨基甲酸二乙铵 (CAS 1518-58-7) is a chemical compound with molecular formula C9H22N2S2 and molecular weight 222.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二乙基二硫代氨基甲酸二乙铵
diethylcarbamodithioic acid;N-ethylethanamine
Also Known As: Contramine, Diethylammonium diethyldithiocarbamate, Diethylammonium N,N-diethyldithiocarbamate, USAF EK-2635, N,N-Diethyldithiocarbamic acid diethylamine salt
| Molecular Formula | C9H22N2S2 |
|---|---|
| Molecular Weight | 222.12 g/mol |
| LogP | 2.16 |
| Topological Polar Surface Area | 48.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.12244 |
| Heavy Atoms | 13 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 1518-58-7 |
|---|---|
| SMILES | CCNCC.CCN(CC)C(=S)S |
| InChIKey | NBGTWXBPCIHUQD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二乙基二硫代氨基甲酸二乙铵 (CAS 1518-58-7), with molecular formula C9H22N2S2 and molecular weight 222.12 g/mol. IUPAC: diethylcarbamodithioic acid;N-ethylethanamine.
Chemical Property Profile of 二乙基二硫代氨基甲酸二乙铵
Property Insights of 二乙基二硫代氨基甲酸二乙铵
The XLogP value of 2.16 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二乙基二硫代氨基甲酸二乙铵. With a topological polar surface area (TPSA) of 48.4 Ų, 二乙基二硫代氨基甲酸二乙铵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二乙基二硫代氨基甲酸二乙铵 has 2 hydrogen bond donor(s) and 3 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 二乙基二硫代氨基甲酸二乙铵?
The CAS number of 二乙基二硫代氨基甲酸二乙铵 is 1518-58-7.
What is the molecular formula of 二乙基二硫代氨基甲酸二乙铵?
The molecular formula of 二乙基二硫代氨基甲酸二乙铵 is C9H22N2S2.
What is the molecular weight of 二乙基二硫代氨基甲酸二乙铵?
The molecular weight of 二乙基二硫代氨基甲酸二乙铵 is 222.12 g/mol.
Where can I buy 二乙基二硫代氨基甲酸二乙铵?
You can request a quote for 二乙基二硫代氨基甲酸二乙铵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二乙基二硫代氨基甲酸二乙铵?
Yes, KEHONG BIO provides custom synthesis services for 二乙基二硫代氨基甲酸二乙铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.