Nitrate Ionophore V - ≥98% , CAS No.221011-41-2

CAS: 221011-41-2 Cat. No.: N346573 Molecular Weight: 452.59 EC Number: 634-983-8

GRADE & PURITY ≥98%

Synonyms

E79413 | Nitrate Ionophore V is known as an ionophore nitrate. | J-014497 | Nitrate Ionophore V, Selectophore(TM), function tested | 9,11,20,22-tetrahydrotetrabenzo[d,f,k,m][1,3,8,10]tetraazacyclotetradecine-10,21-dithione | Nitrate Ionophore V | 8,10,23,

Storage

Room temperature

Shipped In

Normal

Overview

Nitrate Ionophore V is an ionophore used for anion-selective electrodes.

Specifications

Synonyms

E79413 | Nitrate Ionophore V is known as an ionophore nitrate. | J-014497 | Nitrate Ionophore V, Selectophore(TM), function tested | 9, 11, 20, 22-tetrahydrotetrabenzo[d, f, k, m][1, 3, 8, 10]tetraazacyclotetradecine-10, 21-dithione | Nitrate Ionophore V | 8, 10, 23,

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488196849
• Canonical Smiles: C1=CC=C2C(=C1)C3=CC=CC=C3NC(=S)NC4=CC=CC=C4C5=CC=CC=C5NC(=S)N2
• IUPAC Name: 8,10,23,25-tetrazapentacyclo[24.4.0.02,7.011,16.017,22]triaconta-1(30),2,4,6,11,13,15,17,19,21,26,28-dodecaene-9,24-dithione
• InChIKey: GVMHPPQEENVYSW-UHFFFAOYSA-N
• INCHI: 1S/C26H20N4S2/c31-25-27-21-13-5-1-9-17(21)18-10-2-6-14-22(18)28-26(32)30-24-16-8-4-12-20(24)19-11-3-7-15-23(19)29-25/h1-16H,(H2,27,29,31)(H2,28,30,32)
• Isomeric SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3NC(=S)NC4=CC=CC=C4C5=CC=CC=C5NC(=S)N2
• Molecular Weight: 452.59
• Reaxy-Rn: 8235651
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8235651&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Not available
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenoids
• Alternative Parents: Thioureas Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzenoid - Thiourea - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenoids. These are aromatic compounds containing one or more benzene rings.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Boil Point(°C): ~652.1° C at 760 mmHg (Predicted)
• Molecular Weight: 452.600 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 452.113 Da
• Monoisotopic Mass: 452.113 Da
• Topological Polar Surface Area: 112.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 562.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1