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

CAS: 542-90-5 Cat. No.: E156402 Formule: C₃H₅NS Poids moléculaire: 87.14 Beilstein Registry Number: 1737620 Numéro CE: 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

Vue d’ensemble

Application

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

Specifications

Synonymes

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

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

FedEx DG Service

Pureté

≥98%(GC)

Noms et identifiants

• Pubchem Sid: 508815316
• Sourires canoniques: CCSC#N
• IUPAC Name: ethyl thiocyanate
• InChIKey: WFCLYEAZTHWNEH-UHFFFAOYSA-N
• INCHI: 1S/C3H5NS/c1-2-5-3-4/h2H2,1H3
• Isomères SMILES: CCSC#N
• WGK Allemagne: 3
• RTECS: XK9900000
• Numéro ONU: 2929
• Groupe d'emballage: I
• Poids moléculaire: 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
• 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

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive
• Indice de réfraction: 1.46
• Point d'éclair (°F): 107.6 °F
• Point d'éclair (°C): 42°C(lit.)
• Point d'ébullition (°C): 145°C
• Poids moléculaire: 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