NIR-797-isothiocyanate, 99.26%

cas: 152111-91-6 — see every product listed under this CAS number, including other names

NIR-797-isothiocyanate, 99.26% (CAS 152111-91-6) is a chemical reagent available from Chemat. Available pack sizes: 25 mg, 5 mg, 10 mg. Offered by: MedChemExpress.

brandMedChemExpress
catalog numberHY-D0134-25 mg
cas152111-91-6
size25 mg
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Available pack sizes

brand size price
MedChemExpress 25 mg 5079.79 Pln
MedChemExpress 5 mg 1513.20 Pln
MedChemExpress 10 mg 2469.86 Pln

properties

delivery time over 3 weeks
purity99.26%
Structural formula: {0} (CAS {1})

Sodium 4-[(2E)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(4-isothiocyanatophenyl)sulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate (CAS 152111-91-6) is a chemical compound with the molecular formula C45H50N3NaO6S4 and a molecular weight of 880.2 g/mol. IUPAC name: sodium 4-[(2E)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(4-isothiocyanatophenyl)sulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate. InChIKey: URQBXUCJHTXMKS-UHFFFAOYSA-M.

Identity
Molecular formulaC45H50N3NaO6S4
Molecular weight880.2 g/mol
IUPAC namesodium 4-[(2E)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(4-isothiocyanatophenyl)sulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate
InChIKeyURQBXUCJHTXMKS-UHFFFAOYSA-M
SMILESCC1(C2=CC=CC=C2[N+](=C1/C=C/C3=C(/C(=C/C=C/4\C(C5=CC=CC=C5N4CCCCS(=O)(=O)[O-])(C)C)/CCC3)SC6=CC=C(C=C6)N=C=S)CCCCS(=O)(=O)[O-])C.[Na+]

Computed by PubChem (NCBI)

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