3,4-Methylenedioxyphenyl isothiocyanate

cas: 113504-93-1 — see every product listed under this CAS number, including other names

3,4-Methylenedioxyphenyl isothiocyanate (CAS 113504-93-1) is a chemical reagent available from Chemat. Available pack sizes: 5g, 100g, 1g. Offered by: Fluorochem.

• 2D
• 3D

5-isothiocyanato-1,3-benzodioxole (CAS 113504-93-1) is a chemical compound with the molecular formula C8H5NO2S and a molecular weight of 179.20 g/mol. IUPAC name: 5-isothiocyanato-1,3-benzodioxole. InChIKey: UVVSPZKAEJHDCY-UHFFFAOYSA-N.

Identity

Molecular formula	C8H5NO2S
Molecular weight	179.20 g/mol
IUPAC name	5-isothiocyanato-1,3-benzodioxole
InChIKey	UVVSPZKAEJHDCY-UHFFFAOYSA-N
SMILES	C1OC2=C(O1)C=C(C=C2)N=C=S

Computed by PubChem (NCBI)

Synonyms: 3,4-Methylenedioxyphenyl isothiocyanate, 1,3-Benzodioxole, 5-isothiocyanato-, 5-isothiocyanato-1,3-dioxaindane, 5-Isothiocyanato-1,3-benzodioxole, 1,3-benzodioxol-5-yl isothiocyanate, 5-Isothiocyanatobenzo[d][1,3]dioxole, 5-Isothiocyanato-2H-1,3-Benzodioxole, 5-isothiocyanato-benzo[1,3]dioxole, 1,3-Benzodioxole,5-isothiocyanato-, 3,4-methylenedioxyphenylisothiocyanate

Isomers (same molecular formula)

thieno[3,2-b]pyridine-7-carboxylic acid C₈H₅NO₂S

thieno[2,3-c]pyridine-2-carboxylic acid C₈H₅NO₂S

1,2-benzothiazole-3-carboxylic acid C₈H₅NO₂S