Ethyl Thiocyanate - ≥98%(GC) , CAS No.542-90-5

CAS: 542-90-5 Cat. No.: E156402 Formula: C₃H₅NS Peso molecolare: 87.14 Beilstein Registry Number: 1737620 Numero EC: 208-833-3

GRADE & PURITY ≥98%(GC)

Synonyms

Aethylrhodanid [German] | NSC8827 | NSC-8827 | Ethyl rhodanate | ETHYL THIOCYANATE [HSDB] | THIOCYANIC ACID, ETHYL ESTER ETHANE,1-THIOCYANO | Aethylrhodanid | EINECS 208-833-3 | PF9AD5G86Z | AI3-18429 | NSC 8827 | Q5404512 | EN300-315937 | AKOS015897514

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Panoramica

Application

Ethyl thiocyanate was used in the synthesis of hydrogen cyanide by undergoing in situ reduction with dithiothreitol.

Specifications

Sinonimi

Aethylrhodanid [German] | NSC8827 | NSC-8827 | Ethyl rhodanate | ETHYL THIOCYANATE [HSDB] | THIOCYANIC ACID, ETHYL ESTER ETHANE,1-THIOCYANO | Aethylrhodanid | EINECS 208-833-3 | PF9AD5G86Z | AI3-18429 | NSC 8827 | Q5404512 | EN300-315937 | AKOS015897514

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

FedEx DG Service

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 508815316
• Sorrisi canonici: CCSC#N
• IUPAC Name: ethyl thiocyanate
• InChIKey: WFCLYEAZTHWNEH-UHFFFAOYSA-N
• INCHI: 1S/C3H5NS/c1-2-5-3-4/h2H2,1H3
• Isomeri SMILES: CCSC#N
• WGK Germania: 3
• RTECS: XK9900000
• Numero UN: 2929
• Gruppo di imballaggio: I
• Peso molecolare: 87.14
• Beilstein: 1737620
• Reaxy-Rn: 1737620
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1737620&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thiocyanates

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thiocyanates
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiocyanates
• Alternative Parents: Sulfenyl compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfenyl compound - Thiocyanate - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Indice di rifrazione: 1.46
• Punto di infiammabilità (°F): 107.6 °F
• Punto di infiammabilità (°C): 42°C(lit.)
• Punto di ebollizione (°C): 145°C
• Peso molecolare: 87.150 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 87.0143 Da
• Monoisotopic Mass: 87.0143 Da
• Topological Polar Surface Area: 49.100 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 51.200
• 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