(R)-(-)-1-(1-naftil)isotiocianato de etilo - ≥95% , CAS No.138617-82-0

CAS: 138617-82-0 Cat. No.: B301147 Peso molecular: 213.3 Número EC: 679-462-6

GRADE & PURITY ≥95%

Synonyms

(R)-(-)-1-(1-naftil)isotiocianato de etilo|138617-82-0|1-[(1R)-1-ISOTIANATOETIL]NAFTALENO|naftaleno, 1-[(1R)-1-isothiocyanatoethyl]-|SCHEMBL3886974|DTXSID10426818|MFCD04039332|(R)-1-(1-Naphthyl)ethyl isothiocyanate|BP-12879

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

(R)-(-)-1-(1-naftil)isotiocianato de etilo | 138617-82-0 | 1-[(1R)-1-ISOTIANATOETIL]NAFTALENO | naftaleno, 1-[(1R)-1-isothiocyanatoethyl]- | SCHEMBL3886974 | DTXSID10426818 | MFCD04039332 | (R)-1-(1-Naphthyl)ethyl isothiocyanate | BP-12879

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504764554
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764554
• Sonrisas canónicas: CC(C1=CC=CC2=CC=CC=C21)N=C=S
• IUPAC Name: 1-[(1R)-1-isothiocyanatoethyl]naphthalene
• InChIKey: PGJWLIIUEIYCSF-SNVBAGLBSA-N
• INCHI: 1S/C13H11NS/c1-10(14-9-15)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10H,1H3/t10-/m1/s1
• Isómeros SMILES: C[C@H](C1=CC=CC2=CC=CC=C21)N=C=S
• Peso molecular: 213.3
• Reaxy-Rn: 8481207
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8481207&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

Propiedades químicas y físicas

• Peso molecular: 213.300 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 213.061 Da
• Monoisotopic Mass: 213.061 Da
• Topological Polar Surface Area: 44.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 257.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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