1,1'-bis(4-sulfobutyl)-11-(4-isothiocyanatophenylthio)-3,3,3',3'-tetramethyl-10,12-tri methyleneindotricarbocyanine monosodium salt

Modify Date: 2026-07-14 11:59:26

1,1'-bis(4-sulfobutyl)-11-(4-isothiocyanatophenylthio)-3,3,3',3'-tetramethyl-10,12-tri methyleneindotricarbocyanine monosodium salt structure	Common Name	1,1'-bis(4-sulfobutyl)-11-(4-isothiocyanatophenylthio)-3,3,3',3'-tetramethyl-10,12-tri methyleneindotricarbocyanine monosodium salt
	CAS Number	152111-91-6	Molecular Weight	880.14500
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₄₅H₅₀N₃NaO₆S₄	Melting Point	N/A
	MSDS	Chinese USA	Flash Point	N/A

Name	sodium,4-[2-[2-[3-[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
Synonym	More Synonyms

Molecular Formula	C₄₅H₅₀N₃NaO₆S₄
Molecular Weight	880.14500
Exact Mass	879.24800
PSA	207.16000
LogP	12.02790
InChIKey	URQBXUCJHTXMKS-UHFFFAOYSA-M
SMILES	CC1(C)C(=CC=C2CCCC(C=CC3=[N+](CCCCS(=O)(=O)[O-])c4ccccc4C3(C)C)=C2Sc2ccc(N=C=S)cc2)N(CCCCS(=O)(=O)[O-])c2ccccc21.[Na+]
Storage condition	2-8°C

MSDS(Chinese)

Personal Protective Equipment	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Safety Phrases	22-24/25
RIDADR	NONH for all modes of transport
WGK Germany	3

M. Lipowska et al.

Synth. Commun. 23 , 3087, (1993)

NIR-797 isothiocyanate

NIR-797-isothiocyanat

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