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

CAS: 155614-01-0 Cat. No.: I478357 Formule: C₄₄H₃₄BClF₄S₂ Poids moléculaire: 749.13 Numéro CE: 633-885-2 PubChem CID: 71311491

QUALITÉ & PURETÉ 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

Spécifications

Synonymes

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

Spécifications et pureté

Dye content 80%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

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

Product Line

I478357-50mg

Noms et identifiants

Pubchem Sid

528764907

Sourires canoniques

[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

Isomères SMILES

[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 Allemagne

3

PubChem CID

71311491

Poids moléculaire

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
• Description: 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