Molecular Structure of Propyl isothiocyanate (CAS No.628-30-8):

Molecular Formula: C₄H₇NS 
Molecular Weight: 101.1701
IUPAC Name: 1-Isothiocyanatopropane   
CAS No: 628-30-8
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 44.45 Å²
Index of Refraction: 1.484
Molar Refractivity: 31.17 cm³
Molar Volume: 108.8 cm³ 
Surface Tension: 27.7 dyne/cm
Density: 0.92 g/cm³
Flash Point: -15 °C
Enthalpy of Vaporization: 37.4 kJ/mol
Boiling Point: 153.3 °C at 760 mmHg
Vapour Pressure: 4.3 mmHg at 25°C
InChI: InChI=1/C₄H₇NS /c1-2-3-5-4-6/h2-3H2,1H3
InChIKey: KKASGUHLXWAKEZ-UHFFFAOYAZ
Std. InChI: InChI=1S/C₄H₇NS /c1-2-3-5-4-6/h2-3H2,1H3
Std. InChIKey: KKASGUHLXWAKEZ-UHFFFAOYSA-N
Synonyms of Propyl isothiocyanate (CAS No.628-30-8): N-Propyl isothiocyanate ; Propyl isothiocyanate ; 1-Isothiocyanatopropane ; Isothiocyanic acid propyl ester ; Isothiocyanic acid N-propyl ester ; 1-Propyl isothiocyanate ; Propyl isocyannate 
Product Categories: Organic Building Blocks;Sulfur Compounds;Thiocyanates/Isothiocyanates

Hazard Codes:C,F
Risk Statements:34-20/21/22-11-36/37
R34:Causes burns. 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R11:Highly flammable. 
R36/37:Irritating to eyes and respiratory system.
Safety Statements: 36/37/39-33-27-26-16-45
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S33:Take precautionary measures against static discharges. 
S27:Take off immediately all contaminated clothing. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S16:Keep away from sources of ignition. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR:2924
HazardClass:3
PackingGroup:II