The Benzene, 1-isothiocyanato-3-(methylthio)-, with the CAS registry number 51333-80-3, is also known as 3-(Methylthio)phenyl isothiocyanate. It belongs to the product categories of Organic Building Blocks; Sulfur Compounds; Thiocyanates/Isothiocyanates. This chemical's molecular formula is C₈H₇NS₂ and molecular weight is 181.28. What's more, its IUPAC name is 1-Isothiocyanato-3-methylsulfanylbenzene. In addition, it must be stored in airtight containers and placed in a dry, cool place in cold storage.

Physical properties about Benzene, 1-isothiocyanato-3-(methylthio)- are: (1)ACD/LogP: 3.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.81; (4)ACD/LogD (pH 7.4): 3.81; (5)ACD/BCF (pH 5.5): 462.59; (6)ACD/BCF (pH 7.4): 462.59; (7)ACD/KOC (pH 5.5): 2814.17; (8)ACD/KOC (pH 7.4): 2814.17; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 69.75 Å²; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 54.86 cm³; (15)Molar Volume: 159.7 cm³; (16)Polarizability: 21.75×10^-24 cm³; (17)Surface Tension: 38.9 dyne/cm; (18)Density: 1.13 g/cm³; (19)Flash Point: 138.7 °C; (20)Enthalpy of Vaporization: 52.44 kJ/mol; (21)Boiling Point: 305.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00145 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. Besides, the vapour of this chemical can not be breathed. During using it, wear suitable protective clothing. 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/c1cc(SC)ccc1
(2) InChI: InChI=1/C8H7NS2/c1-11-8-4-2-3-7(5-8)9-6-10/h2-5H,1H3
(3) InChIKey: IHKAGFVCXPFGRP-UHFFFAOYAT