N-DODECYL THIOCYANATE

 Molecule structure of n-Dodecyl thiocyanate (CAS NO.765-15-1):

IUPAC Name: Dodecyl thiocyanate 
Molecular Weight: 227.4093 g/mol
Molecular Formula: C₁₃H₂₅NS 
Density: 0.907 g/cm³ 
Boiling Point: 304 °C at 760 mmHg 
Flash Point: 137.6 °C
Index of Refraction: 1.472
Molar Refractivity: 70.18 cm³
Molar Volume: 250.4 cm³
Polarizability: 27.82×10^-24 cm³
Surface Tension: 34.7 dyne/cm 
Enthalpy of Vaporization: 54.43 kJ/mol
Vapour Pressure: 0.0009 mmHg at 25 °C
XLogP3-AA: 6.5
H-Bond Acceptor: 1
Rotatable Bond Count: 11
Exact Mass: 227.17077
MonoIsotopic Mass: 227.17077
Topological Polar Surface Area: 23.8
Heavy Atom Count: 15
Complexity: 159
Canonical SMILES: CCCCCCCCCCCCSC#N
InChI: InChI=1S/C13H25NS/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14/h2-12H2,1H3
InChIKey: RYZZMYXTNUJGMU-UHFFFAOYSA-N
EINECS of n-Dodecyl thiocyanate (CAS NO.765-15-1): 212-142-2

Risk Statements: 22-32-36/38
R22:Harmful if swallowed. 
R32:Contact with acid liberates very toxic gas. 
R36/38:Irritating to eyes and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RTECS: XK9625000
Moderately toxic by ingestion. A skin irritant. When heated to decomposition it emits very toxic fumes of NO_x and SO_x. See also THIOCYANATES.

 n-Dodecyl thiocyanate (CAS NO.765-15-1) is also named as 1-Dodecyl thiocyanate ; 4-03-00-00332 (Beilstein Handbook Reference) ; AI3-00114 ; BRN 1770396 ; Caswell No. 523 ; Dodecane, 1-thiocyanato- ; ENT 114 ; EPA Pesticide ; Chemical Code 068101 ; LORO ; Lauryl rhodanate ; Lauryl thiocyanate ; Laurylrhodanide ; Laurylthiokyanat ; Laurylthiokyanat [Czech] ; Lorol thiocyanate ; NSC 1481 .