IR-1061 - Dye content 80% , CAS No.155614-01-0

CAS: 155614-01-0 Cat. No.: I478357 Fórmula: C₄₄H₃₄BClF₄S₂ Peso molecular: 749.13 Número CE: 633-885-2 PubChem CID: 71311491

GRAU & PUREZA Dye content 80%

Synonyms

4-[(E)-2-{(3Z)-2-Chloro-3-[2-(2,6-diphenyl-4H-thiopyran-4-ylidene)ethylidene]cyclohex-1-en-1-yl}ethenyl]-2,6-diphenylthiopyran-1-ium tetrafluoroborate | IR-1061, Dye content 80 % | IR-1061 | 4-[(E)-2-[(3Z)-2-chloro-3-[2-(2,6-diphenylthiopyran-4-ylidene)et

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Especificações

Sinónimos

4-[(E)-2-{(3Z)-2-Chloro-3-[2-(2,6-diphenyl-4H-thiopyran-4-ylidene)ethylidene]cyclohex-1-en-1-yl}ethenyl]-2,6-diphenylthiopyran-1-ium tetrafluoroborate | IR-1061, Dye content 80 % | IR-1061 | 4-[(E)-2-[(3Z)-2-chloro-3-[2-(2,6-diphenylthiopyran-4-ylidene)et

Especificações e pureza

Dye content 80%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Product Line

I478357-50mg

Nomes e identificadores

Pubchem Sid

528764907

Sorrisos canónicos

[B-](F)(F)(F)F.C1CC(=C(C(=CC=C2C=C(SC(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C1)Cl)C=CC5=CC(=[S+]C(=C5)C6=CC=CC=C6)C7=CC=CC=C7

IUPAC Name

4-[(E)-2-[(3Z)-2-chloro-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;tetrafluoroborate

InChIKey

QRLZQHNDSCIJTI-UHFFFAOYSA-N

INCHI

1S/C44H34ClS2.BF4/c45-44-38(26-24-32-28-40(34-14-5-1-6-15-34)46-41(29-32)35-16-7-2-8-17-35)22-13-23-39(44)27-25-33-30-42(36-18-9-3-10-19-36)47-43(31-33)37-20-11-4-12-21-37;2-1(3,4)5/h1-12,14-21,24-31H,13,22-23H2;/q+1;-1

SMILES isoméricas

[B-](F)(F)(F)F.C1CC(=C(/C(=C\C=C2C=C(SC(=C2)C3=CC=CC=C3)C4=CC=CC=C4)/C1)Cl)/C=C/C5=CC(=[S+]C(=C5)C6=CC=CC=C6)C7=CC=CC=C7

WGK Alemanha

3

PubChem CID

71311491

Peso molecular

749.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Thiopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Thiopyrans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiopyrans
• Alternative Parents: Benzene and substituted derivatives Heteroaromatic compounds Thioenol ethers Vinyl chlorides Organic metalloid salts Chloroalkenes Organochlorides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Thiopyran - Benzenoid - Heteroaromatic compound - Thioenolether - Organic metalloid salt - Chloroalkene - Vinyl chloride - Vinyl halide - Haloalkene - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organic salt - Organic cation - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as thiopyrans. These are compounds containing a six-member aliphatic heterocycle made up of one sulfur atom and five carbon atoms.
• 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