(S)-(+)-1-Indanyl isothiocyanate

This chemical is called (S)-(+)-1-Indanyl isothiocyanate, and it can also be named as (1S)-1-isothiocyanato-2,3-dihydro-1H-indene. With the molecular formula of C₁₀H₉NS, its molecular weight is 175.25. The CAS registry number of this chemical is 737000-84-9, and its systematic name is (1S)-1-isothiocyanato-2,3-dihydro-1H-indene. 

Other characteristics of the (S)-(+)-1-Indanyl isothiocyanate can be summarised as follows: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.17; (4)ACD/LogD (pH 7.4): 3.17; (5)ACD/BCF (pH 5.5): 150.49; (6)ACD/BCF (pH 7.4): 150.49; (7)ACD/KOC (pH 5.5): 1259.71; (8)ACD/KOC (pH 7.4): 1259.71; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.45 Ų; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 53.91 cm³; (15)Molar Volume: 149.8 cm³; (16)Polarizability: 21.37×10^-24 cm³; (17)Surface Tension: 41.1 dyne/cm; (18)Density: 1.16 g/cm³; (19)Flash Point: 146.4 °C; (20)Enthalpy of Vaporization: 52.83 kJ/mol; (21)Boiling Point: 309.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00116 mmHg at 25°C.

When you are using this chemical, please be cautious about it as follows: This chemical is irritating to eyes, respiratory system and skin. It's harmful by inhalation, in contact with skin and if swallowed. You should 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\[C@@H]2c1ccccc1CC2
2.InChI: InChI=1/C10H9NS/c12-7-11-10-6-5-8-3-1-2-4-9(8)10/h1-4,10H,5-6H2/t10-/m0/s1
3.InChIKey: YQGGEOQEFFXRLO-JTQLQIEIBK