2-Methoxyethyl isothiocyanate - ≥95% , CAS No.38663-85-3

CAS: 38663-85-3 Cat. No.: M300207 Summenformel: C₄H₇NOS Molekulargewicht: 117.17 EG-Nummer: 254-070-4

GRADE & PURITY ≥95%

Synonyms

2-methoxy ethyl isothiocyanate | 4-OXOPENTYLACETATE | BBL011963 | J-802091 | MFCD00041126 | VS-03134 | DTXSID80191965 | 1-Isothiocyanato-2-methoxyethane | 1-isothiocyanato-2-methoxy-ethane | 2-Methoxyethyl isothiocyanate, 95% | GEO-01678 | 2-methoxyethyli

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

2-methoxy ethyl isothiocyanate | 4-OXOPENTYLACETATE | BBL011963 | J-802091 | MFCD00041126 | VS-03134 | DTXSID80191965 | 1-Isothiocyanato-2-methoxyethane | 1-isothiocyanato-2-methoxy-ethane | 2-Methoxyethyl isothiocyanate, 95% | GEO-01678 | 2-methoxyethyli

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

508808585

Kanonisches Lächeln

COCCN=C=S

IUPAC Name

1-isothiocyanato-2-methoxyethane

InChIKey

HTSAVXAFEVUJQE-UHFFFAOYSA-N

INCHI

1S/C4H7NOS/c1-6-3-2-5-4-7/h2-3H2,1H3

Isomere SMILES

COCCN=C=S

UN-Nummer

2478

Verpackungsgruppe

II

Molekulargewicht

117.17

Reaxy-Rn

773990

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773990&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Klasse Isothiocyanates

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Klasse: Isothiocyanates
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isothiocyanates
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as isothiocyanates. These are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive
• Siedepunkt (°C): 88-92°/24mm
• Molekulargewicht: 117.170 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 117.025 Da
• Monoisotopic Mass: 117.025 Da
• Topological Polar Surface Area: 53.700 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 77.800
• 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