Ammonium thiocyanate - PrimorTrace™, ≥99.99% metals basis , CAS No.1762-95-4

CAS: 1762-95-4 Cat. No.: A112659 Formula: CH₄N₂S Molecular Weight: 76.12 Beilstein Registry Number: 3595135 EC Number: 217-175-6

GRADE & PURITY PrimorTrace™, ≥99.99% metals basis

Synonyms

AMMONIUM THIOCYANATE | DTXCID809653 | YYL9152Z1Y | AKOS030228317 | Ammoniumrhodanid | USAF EK-P-433 | Weedazol tl | MFCD00011428 | NSC-31184 | Tox21_301967 | Ammonium sulfocyanide | EC 217-175-6 | Thiocyanic acid, ammonium salt (1:1) | Ammonium thiocyanat

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Overview

Applied in the formation of novel two-dimensional Cd-SCN coordination solids with unusual and tailorable, checkerboard- or herringbone-patterned structures these structures are important steps toward technologically useful materials.

Specifications

Synonyms

AMMONIUM THIOCYANATE | DTXCID809653 | YYL9152Z1Y | AKOS030228317 | Ammoniumrhodanid | USAF EK-P-433 | Weedazol tl | MFCD00011428 | NSC-31184 | Tox21_301967 | Ammonium sulfocyanide | EC 217-175-6 | Thiocyanic acid, ammonium salt (1:1) | Ammonium thiocyanat

Specifications & Purity

PrimorTrace™, ≥99.99% metals basis

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Grade

PrimorTrace™

Purity

≥99.99% metals basis

Names and Identifiers

Pubchem Sid

508815328

Canonical Smiles

C(#N)[S-].[NH4+]

IUPAC Name

azanium;thiocyanate

InChIKey

SOIFLUNRINLCBN-UHFFFAOYSA-N

INCHI

1S/CHNS.H3N/c2-1-3;/h3H;1H3

Isomeric SMILES

C(#N)[S-].[NH4+]

RTECS

XK7875000

UN Number

3077

Packing Group

III

Molecular Weight

76.12

Beilstein

3595135

Reaxy-Rn

10773874

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10773874&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Thiocyanates

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Thiocyanates
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiocyanates
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organic salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thiocyanate - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as thiocyanates. These are salts or esters of thiocyanic acid, with the general formula RSC#N (R=alkyl, aryl).
• 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

• Sensitivity: Moisture, Light and Air sensitive
• Melt Point(°C): 150 °C
• Molecular Weight: 76.120 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 76.0095 Da
• Monoisotopic Mass: 76.0095 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 31.300
• 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: 2

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