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Basic Information
CAS No.: 57670-85-6
Name: Sulfur thiocyanate
Article Data: 19
Molecular Structure:
Molecular Structure of 57670-85-6 (Sulfur thiocyanate)
Formula: C2N2S3
Molecular Weight: 148.233
Synonyms: sulfur dithiocyanate;sulfur dirhodanide;Trisulfide,dicyano;Schwefeldirhodanid;Sulfur thiocyanate;Trisulfidodicarbonitril;dicyanotrisulfane;Dicyan-trisulfan;Dicyanotrisulfide;
Density: 1.642g/cm3
Melting Point: 93°C
Boiling Point: 271°Cat760mmHg
Flash Point: 117.7°C
Safety: 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.
PSA: 123.48000
LogP: 1.97816
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Chemistry

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

Toxicity Data With Reference

1.    

ipr-rat LD:>500 mg/kg

     NCNSA6    National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. 5 (1953),28.

Safety Profile

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.

Specification

 Sulfur thiocyanate (CAS NO.57670-85-6) is also called 4-03-00-00341 (Beilstein Handbook Reference) ; AI3-03739 ; BRN 1746799 ; Dicyanotrisulfide ; Trisulfide, dicyano- .