Thienyldecyl isothiocyanate - ≥95% , CAS No.288323-41-1

CAS: 288323-41-1 Cat. No.: T276473 Peso molecular: 281.48 PubChem CID: 9925743

GRADE & PURITY ≥95%

Synonyms

2-(10-Isothiocyanatodecyl)thiophene

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

An antiproliferative isothiocyanate.

Specifications

Sinónimos

2-(10-Isothiocyanatodecyl)thiophene

Especificaciones y pureza

≥95%

Mecanismos bioquímicos y fisiológicos

Thienylbutyl isothiocyanate analog. Antiproliferative agent. Putative chemopreventive agent. Orally active.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

MODULATOR

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504765100
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765100
• Sonrisas canónicas: C1=CSC(=C1)CCCCCCCCCCN=C=S
• IUPAC Name: 2-(10-isothiocyanatodecyl)thiophene
• InChIKey: QRGUKFSTCYZBKD-UHFFFAOYSA-N
• INCHI: 1S/C15H23NS2/c17-14-16-12-8-6-4-2-1-3-5-7-10-15-11-9-13-18-15/h9,11,13H,1-8,10,12H2
• Isómeros SMILES: C1=CSC(=C1)CCCCCCCCCCN=C=S
• PubChem CID: 9925743
• Número NSC: 2811
• Grupo de embalaje: III
• Peso molecular: 281.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Thiophenes Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiophene - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
• 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

• Solubilidad: Soluble in ethanol；≤30mg/ml in ethanol;20mg/ml in DMSO;20mg/ml in dimethyl formamide
• Peso molecular: 281.500 g/mol
• XLogP3: 7.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 281.127 Da
• Monoisotopic Mass: 281.127 Da
• Topological Polar Surface Area: 72.700 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 237.000
• 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