Products 130116-16-4

CAS 130116-16-4 is the registry number for CI-986. Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

2,6-ditert-butyl-4-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)phenolate;2-hydroxyethyl(trimethyl)azanium (CAS 130116-16-4) is a chemical compound with the molecular formula C21H35N3O2S2 and a molecular weight of 425.7 g/mol. IUPAC name: 2,6-ditert-butyl-4-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)phenolate;2-hydroxyethyl(trimethyl)azanium. InChIKey: BIZSVVIRPJXFOI-UHFFFAOYSA-M.

Identity
Molecular formulaC21H35N3O2S2
Molecular weight425.7 g/mol
IUPAC name2,6-ditert-butyl-4-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)phenolate;2-hydroxyethyl(trimethyl)azanium
InChIKeyBIZSVVIRPJXFOI-UHFFFAOYSA-M
SMILESCC(C)(C)C1=CC(=CC(=C1[O-])C(C)(C)C)C2=NNC(=S)S2.C[N+](C)(C)CCO

Computed by PubChem (NCBI)

Synonyms: orb1697807