Products 121235-90-3

CAS 121235-90-3 is the registry number for 4-Isothiocyanatophenyl 4-pentylbicyclo[2.2.2]octane-1-carboxylate, 95%. Offered by: Combi-blocks. Available pack sizes: 1g.

4-Isothiocyanatophenyl 4-pentylbicyclo[2.2.2]octane-1-carboxylate, 95%
Combi-blocks
  • size: 1g
  • Variants: 1
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(4-isothiocyanatophenyl) 4-pentylbicyclo[2.2.2]octane-1-carboxylate (CAS 121235-90-3) is a chemical compound with the molecular formula C21H27NO2S and a molecular weight of 357.5 g/mol. IUPAC name: (4-isothiocyanatophenyl) 4-pentylbicyclo[2.2.2]octane-1-carboxylate. InChIKey: BXZVNXOHCXCVAG-UHFFFAOYSA-N.

Identity
Molecular formulaC21H27NO2S
Molecular weight357.5 g/mol
IUPAC name(4-isothiocyanatophenyl) 4-pentylbicyclo[2.2.2]octane-1-carboxylate
InChIKeyBXZVNXOHCXCVAG-UHFFFAOYSA-N
SMILESCCCCCC12CCC(CC1)(CC2)C(=O)OC3=CC=C(C=C3)N=C=S

Computed by PubChem (NCBI)

Synonyms: 4-Isothiocyanatophenyl 4-pentylbicyclo[2.2.2]octane-1-carboxylate, 4-Isothiocyanatophenyl 4-pentylbicyclo(2.2.2)octane-1-carboxylate, (4-isothiocyanatophenyl) 4-pentylbicyclo[2.2.2]octane-1-carboxylate, BXZVNXOHCXCVAG-UHFFFAOYSA-N, 4-isothiocyanatophenyl 4-pentylbicyclo[2.2.2]octanecarboxylate, 4-Pentyl-bicyclo[2.2.2]octane-1-carboxylic acid 4-isothiocyanato-phenyl ester
Isomers (same molecular formula)
[(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl] acetate C21H27NO2S