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

CAS: 38663-85-3 Cat. No.: M300207 Formula: C₄H₇NOS Peso molecolare: 117.17 Numero EC: 254-070-4

QUALITÀ & PUREZZA ≥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

Specifiche

Sinonimi

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

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

508808585

Sorrisi canonici

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

Isomeri SMILES

COCCN=C=S

Numero UN

2478

Gruppo di imballaggio

II

Peso molecolare

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
    • Classe Isothiocyanates

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Punto di ebollizione (°C): 88-92°/24mm
• Peso molecolare: 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