The 1, 3-Benzodioxole, 5-isothiocyanato-, with the CAS registry number of 113504-93-1, is also known as 1, 3-Benzodioxol-5-yl isothiocyanate. It belongs to the product category of Isothiocyanate. This chemical's molecular formula is C₈H₅NO₂S and molecular weight is 179.2. What's more, its IUPAC name is 5-Isothiocyanato-1, 3-benzodioxole. Besides, this chemical must be kept in cold storage.

Physical properties about 1, 3-Benzodioxole, 5-isothiocyanato- are: (1)ACD/LogP: 3.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.3; (4)ACD/LogD (pH 7.4): 3.3; (5)ACD/BCF (pH 5.5): 190.05; (6)ACD/BCF (pH 7.4): 190.05; (7)ACD/KOC (pH 5.5): 1488.75; (8)ACD/KOC (pH 7.4): 1488.75; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 62.91 Å²; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 47.47 cm³; (15)Molar Volume: 130.6 cm³; (16)Surface Tension: 46.1 dyne/cm; (17)Density: 1.37 g/cm³; (18)Flash Point: 142 °C; (19)Enthalpy of Vaporization: 53.01 kJ/mol; (20)Boiling Point: 311.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00104 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C=N\c1ccc2OCOc2c1
(2) InChI: InChI=1/C8H5NO2S/c12-4-9-6-1-2-7-8(3-6)11-5-10-7/h1-3H,5H2
(3) InChIKey: UVVSPZKAEJHDCY-UHFFFAOYAI