2,2-Diphenylethyl isothiocyanate - ≥98% , CAS No.34634-22-5

CAS: 34634-22-5 Cat. No.: D339680 Formule: C₁₅H₁₃NS Poids moléculaire: 239.34 Numéro CE: 671-052-5

GRADE & PURITY ≥98%

Synonyms

HCMJWOGOISXSDL-UHFFFAOYSA-N | (2-isothiocyanatoethane-1,1-diyl)dibenzene | 2,2-Diphenylethyl isothiocyanate | A822328 | CCRIS 7552 | 2-isothiocyanato-1,1-diphenylethane | J-019685 | SCHEMBL1247579 | FT-0639205 | AKOS028111327 | (2-isothiocyanato-1-phenyle

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonymes

HCMJWOGOISXSDL-UHFFFAOYSA-N | (2-isothiocyanatoethane-1,1-diyl)dibenzene | 2,2-Diphenylethyl isothiocyanate | A822328 | CCRIS 7552 | 2-isothiocyanato-1,1-diphenylethane | J-019685 | SCHEMBL1247579 | FT-0639205 | AKOS028111327 | (2-isothiocyanato-1-phenyle

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Desiccated

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488188261
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188261
• Sourires canoniques: C1=CC=C(C=C1)C(CN=C=S)C2=CC=CC=C2
• IUPAC Name: (2-isothiocyanato-1-phenylethyl)benzene
• InChIKey: HCMJWOGOISXSDL-UHFFFAOYSA-N
• INCHI: 1S/C15H13NS/c17-12-16-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11H2
• Isomères SMILES: C1=CC=C(C=C1)C(CN=C=S)C2=CC=CC=C2
• Poids moléculaire: 239.34
• Reaxy-Rn: 2371635
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2371635&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Cibles associées (humaines)

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cibles associées (non humaines)

LLC-PK1 (2135 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Indice de réfraction: n20D1.58
• Point d'ébullition (°C): 160° C at 1 mmHg
• Point de fusion (°C): 36-38° C
• Poids moléculaire: 239.300 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 239.077 Da
• Monoisotopic Mass: 239.077 Da
• Topological Polar Surface Area: 44.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 240.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 34634-22-5, the molecular formula is C15H13NS, and the molecular weight is 239.34 g/mol. InChIKey HCMJWOGOISXSDL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.