3,4-Methylenedioxybenzyl isothiocyanate

cas: 4430-47-1 — see every product listed under this CAS number, including other names

3,4-Methylenedioxybenzyl isothiocyanate (CAS 4430-47-1) is a chemical reagent available from Chemat. Available pack sizes: 5g, 1g. Offered by: Fluorochem.

• 2D
• 3D

5-(isothiocyanatomethyl)-1,3-benzodioxole (CAS 4430-47-1) is a chemical compound with the molecular formula C9H7NO2S and a molecular weight of 193.22 g/mol. IUPAC name: 5-(isothiocyanatomethyl)-1,3-benzodioxole. InChIKey: PUJWRDBPAFJUJW-UHFFFAOYSA-N.

Identity

Molecular formula	C9H7NO2S
Molecular weight	193.22 g/mol
IUPAC name	5-(isothiocyanatomethyl)-1,3-benzodioxole
InChIKey	PUJWRDBPAFJUJW-UHFFFAOYSA-N
SMILES	C1OC2=C(O1)C=C(C=C2)CN=C=S

Computed by PubChem (NCBI)

Synonyms: 5-(isothiocyanatomethyl)-1,3-benzodioxole, 5-(isothiocyanatomethyl)-1,3-dioxaindane, 3,4-(methylenedioxy)benzyl isothiocyanate, 3,4-Methylenedioxybenzyl isothiocyanate, 5-(isothiocyanatomethyl)benzo[d][1,3]dioxole, 5-(isothiocyanatomethyl)-2H-1,3-benzodioxole, 1,3-benzodioxol-5-ylmethyl isothiocyanate, 1,3-benzodioxol-5-yl methylisothiocyanate, 3,4-(METHYLENEDIOXY)BENZylisoTHIOCYANATE, 2H-benzo[d]1,3-dioxolan-5-ylmethanisothiocyanate

Isomers (same molecular formula)

methyl thieno[2,3-c]pyridine-5-carboxylate C₉H₇NO₂S

5-thiophen-3-yl-1H-pyrrole-2-carboxylic acid C₉H₇NO₂S

6-isothiocyanato-2,3-dihydro-1,4-benzodioxine C₉H₇NO₂S

methyl thieno[2,3-b]pyridine-2-carboxylate C₉H₇NO₂S

methyl (Z)-2-cyano-3-thiophen-3-ylprop-2-enoate C₉H₇NO₂S

5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbaldehyde C₉H₇NO₂S

methyl thieno[3,2-c]pyridine-2-carboxylate C₉H₇NO₂S

2-methyl-1,3-benzothiazole-5-carboxylic acid C₉H₇NO₂S

methyl 4-isothiocyanatobenzoate C₉H₇NO₂S

methyl 3-isothiocyanatobenzoate C₉H₇NO₂S

6-acetyl-3H-1,3-benzothiazol-2-one C₉H₇NO₂S

methyl 2-isothiocyanatobenzoate C₉H₇NO₂S