Nickel(2+) bis[bis(2-hydroxyethyl)carbamodithioate]
TL;DR: Nickel(2+) bis[bis(2-hydroxyethyl)carbamodithioate] (CAS 52486-99-4) is a chemical compound with molecular formula C10H20N2NiO4S4 and molecular weight 417.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(N,N-bis(2-hydroxyethyl)carbamodithioate);nickel(2+)
Also Known As: nickel(2+) bis[bis(2-hydroxyethyl)carbamodithioate], Bis(bis(2-hydroxyethyl)dithiocarbamato-S,S')nickel, N,N-bis(2-hydroxyethyl)carbamodithioate; nickel(2+), EINECS 257-954-8
| Molecular Formula | C10H20N2NiO4S4 |
|---|---|
| Molecular Weight | 417.97 g/mol |
| LogP | -1.79 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 417.96594 |
| Heavy Atoms | 21 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 52486-99-4 |
|---|---|
| SMILES | C(CO)N(CCO)C(=S)[S-].C(CO)N(CCO)C(=S)[S-].[Ni+2] |
| InChIKey | KKUQSULHNJDDGJ-UHFFFAOYSA-L |
Product Overview
Nickel(2+) bis[bis(2-hydroxyethyl)carbamodithioate] (CAS 52486-99-4), with molecular formula C10H20N2NiO4S4 and molecular weight 417.97 g/mol. IUPAC: bis(N,N-bis(2-hydroxyethyl)carbamodithioate);nickel(2+).
Chemical Property Profile of Nickel(2+) bis[bis(2-hydroxyethyl)carbamodithioate]
Property Insights of Nickel(2+) bis[bis(2-hydroxyethyl)carbamodithioate]
The XLogP value of -1.79 indicates that Nickel(2+) bis[bis(2-hydroxyethyl)carbamodithioate] is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 154.0 Ų indicates high polarity, suggesting Nickel(2+) bis[bis(2-hydroxyethyl)carbamodithioate] may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nickel(2+) bis[bis(2-hydroxyethyl)carbamodithioate] has 4 hydrogen bond donor(s) and 8 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 Nickel(2+) bis[bis(2-hydroxyethyl)carbamodithioate]?
The CAS number of Nickel(2+) bis[bis(2-hydroxyethyl)carbamodithioate] is 52486-99-4.
What is the molecular formula of Nickel(2+) bis[bis(2-hydroxyethyl)carbamodithioate]?
The molecular formula of Nickel(2+) bis[bis(2-hydroxyethyl)carbamodithioate] is C10H20N2NiO4S4.
What is the molecular weight of Nickel(2+) bis[bis(2-hydroxyethyl)carbamodithioate]?
The molecular weight of Nickel(2+) bis[bis(2-hydroxyethyl)carbamodithioate] is 417.97 g/mol.
Where can I buy Nickel(2+) bis[bis(2-hydroxyethyl)carbamodithioate]?
You can request a quote for Nickel(2+) bis[bis(2-hydroxyethyl)carbamodithioate] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nickel(2+) bis[bis(2-hydroxyethyl)carbamodithioate]?
Yes, KEHONG BIO provides custom synthesis services for Nickel(2+) bis[bis(2-hydroxyethyl)carbamodithioate] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.