Molecule structure of Sulfur thiocyanate (CAS NO.57670-85-6) :
IUPAC Name: cyanodisulfanyl thiocyanate
Molecular Weight: 148.2298 g/mol
Molecular Formula: C2N2S3
Density: 1.642 g/cm3
Boiling Point: 271 °C at 760 mmHg
Flash Point: 117.7 °C
Index of Refraction: 1.706
Molar Refractivity: 35.13 cm3
Molar Volume: 90.2 cm3
Polarizability: 13.92×10-24 cm3
Surface Tension: 93.1 dyne/cm
Enthalpy of Vaporization: 50.92 kJ/mol
Vapour Pressure: 0.00661 mmHg at 25 °C
XLogP3-AA: 1.5
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Exact Mass: 147.92236
MonoIsotopic Mass: 147.92236
Topological Polar Surface Area: 47.6
Heavy Atom Count: 7
Complexity: 108
Canonical SMILES: C(#N)SSSC#N
InChI: InChI=1S/C2N2S3/c3-1-5-7-6-2-4
InChIKey of Sulfur thiocyanate (CAS NO.57670-85-6) : MIZBWIBHGBTKCY-UHFFFAOYSA-N
1. | ipr-rat LD:>500 mg/kg | NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. 5 (1953),28. |
Moderately toxic by intraperitoneal route. Decomposes explosively on storage at room temperature. When heated to decomposition it emits toxic fumes of SOx and NOx. See also THIOCYANATES.
Sulfur thiocyanate (CAS NO.57670-85-6) is also called 4-03-00-00341 (Beilstein Handbook Reference) ; AI3-03739 ; BRN 1746799 ; Dicyanotrisulfide ; Trisulfide, dicyano- .
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