Nickel(2+) thiocyanate--3-(anilinomethyl)-1,3-benzoxazol-2(3H)-one (1/2/2)
TL;DR: Nickel(2+) thiocyanate--3-(anilinomethyl)-1,3-benzoxazol-2(3H)-one (1/2/2) (CAS 82498-00-8) is a chemical compound with molecular formula C30H24N6NiO4S2 and molecular weight 654.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3-(anilinomethyl)-1,3-benzoxazol-2-one);nickel(2+);dithiocyanate
Also Known As: Nickel, bis(3-((phenylamino)methyl)-2(3H)-benzoxazolone-N(sup N(sup 3),O(sup 2))bis(thiocyanato-N))-, 3-(anilinomethyl)-1,3-benzoxazol-2-one,nickel(2+),dithiocyanate, 3-(anilinomethyl)-1,3-benzoxazol-2-one; nickel(2+); dithiocyanate, Nickel(2+) thiocyanate--3-(anilinomethyl)-1,3-benzoxazol-2(3H)-one (1/2/2), 3-(anilinomethyl)benzooxazol-2-one; Nickel(+2) Cation; Dithiocyanate
| Molecular Formula | C30H24N6NiO4S2 |
|---|---|
| Molecular Weight | 654.07 g/mol |
| LogP | 5.35446 |
| Topological Polar Surface Area | 141.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 654.06537 |
| Heavy Atoms | 43 |
| Complexity | 1752.136 |
Chemical Identifiers
| CAS Number | 82498-00-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NCN2C3=CC=CC=C3OC2=O.C1=CC=C(C=C1)NCN2C3=CC=CC=C3OC2=O.C(#N)[S-].C(#N)[S-].[Ni+2] |
Product Overview
Nickel(2+) thiocyanate--3-(anilinomethyl)-1,3-benzoxazol-2(3H)-one (1/2/2) (CAS 82498-00-8), with molecular formula C30H24N6NiO4S2 and molecular weight 654.07 g/mol. IUPAC: bis(3-(anilinomethyl)-1,3-benzoxazol-2-one);nickel(2+);dithiocyanate.
Chemical Property Profile of Nickel(2+) thiocyanate--3-(anilinomethyl)-1,3-benzoxazol-2(3H)-one (1/2/2)
Property Insights of Nickel(2+) thiocyanate--3-(anilinomethyl)-1,3-benzoxazol-2(3H)-one (1/2/2)
The XLogP value of 5.35446 indicates that Nickel(2+) thiocyanate--3-(anilinomethyl)-1,3-benzoxazol-2(3H)-one (1/2/2) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.92 Ų indicates high polarity, suggesting Nickel(2+) thiocyanate--3-(anilinomethyl)-1,3-benzoxazol-2(3H)-one (1/2/2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nickel(2+) thiocyanate--3-(anilinomethyl)-1,3-benzoxazol-2(3H)-one (1/2/2) has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nickel(2+) thiocyanate--3-(anilinomethyl)-1,3-benzoxazol-2(3H)-one (1/2/2)?
The CAS number of Nickel(2+) thiocyanate--3-(anilinomethyl)-1,3-benzoxazol-2(3H)-one (1/2/2) is 82498-00-8.
What is the molecular formula of Nickel(2+) thiocyanate--3-(anilinomethyl)-1,3-benzoxazol-2(3H)-one (1/2/2)?
The molecular formula of Nickel(2+) thiocyanate--3-(anilinomethyl)-1,3-benzoxazol-2(3H)-one (1/2/2) is C30H24N6NiO4S2.
What is the molecular weight of Nickel(2+) thiocyanate--3-(anilinomethyl)-1,3-benzoxazol-2(3H)-one (1/2/2)?
The molecular weight of Nickel(2+) thiocyanate--3-(anilinomethyl)-1,3-benzoxazol-2(3H)-one (1/2/2) is 654.07 g/mol.
Where can I buy Nickel(2+) thiocyanate--3-(anilinomethyl)-1,3-benzoxazol-2(3H)-one (1/2/2)?
You can request a quote for Nickel(2+) thiocyanate--3-(anilinomethyl)-1,3-benzoxazol-2(3H)-one (1/2/2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nickel(2+) thiocyanate--3-(anilinomethyl)-1,3-benzoxazol-2(3H)-one (1/2/2)?
Yes, KEHONG BIO provides custom synthesis services for Nickel(2+) thiocyanate--3-(anilinomethyl)-1,3-benzoxazol-2(3H)-one (1/2/2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.