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24519-85-5

Basic Information
CAS No.: 24519-85-5
Name: 5,6-DIHYDRO-1,4-DITHIIN-2,3-DICARBOXIMIDE
Article Data: 6
Molecular Structure:
Molecular Structure of 24519-85-5 (5,6-DIHYDRO-1,4-DITHIIN-2,3-DICARBOXIMIDE)
Formula: C6H5 N O2 S2
Molecular Weight: 187.243
Synonyms: p-Dithiin-2,3-dicarboximide,5,6-dihydro- (6CI,8CI); 3,6-Dithia-3,4,5,5-tetrahydrophthalimide; 5,6-Dihydro-1,4-dithiin-2,3-dicarboximide;NSC 179792
Density: 1.64g/cm3
Melting Point: 217°C
Boiling Point: 361.5°Cat760mmHg
Flash Point: 172.5°C
Safety: Poison by intraperitoneal route. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of SOx and NOx.
PSA: 96.77000
LogP: 0.66320
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Chemistry

IUPAC Name: 2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione 
Empirical Formula: C6H5NO2S2
Molecular Weight: 187.2394g/mol
Structure of 5,6-Dihydro-p-dithiin-2,3-dicarboximide (CAS NO.24519-85-5):

Index of Refraction: 1.722
Molar Refractivity: 45.1 cm3
Molar Volume: 113.8 cm3
Polarizability: 17.88×10-24cm3
Surface Tension: 74.7 dyne/cm
Density: 1.64 g/cm3
Flash Point: 172.5 °C
Enthalpy of Vaporization: 60.74 kJ/mol 
Melting Point: 217°C
Boiling Point: 361.5 °C at 760 mmHg
Vapour Pressure: 2.06E-05 mmHg at 25°C 
Classification Code: Drug / Therapeutic Agent, Reproductive Effect 
Canonical SMILES: C1CSC2=C(S1)C(=O)NC2=O
InChI: InChI=1S/C6H5NO2S2/c8-5-3-4(6(9)7-5)11-2-1-10-3/h1-2H2,(H,7,8,9)
InChIKey: XNIVQWHLYNEVBN-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

ipr-mus LD50:64 mg/kg

    DPHFAK    Dissertationes Pharmaceuticae et Pharmacologicae. 23 (1971),113.

Safety Profile

Safety Statements: 22-24/25 
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes.
RTECS: JO6955000
Poison by intraperitoneal route. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of SOx and NOx.

Specification

  5,6-Dihydro-p-dithiin-2,3-dicarboximide , its cas register number is 24519-85-5. It also can be called 3,6-Dithia-3,4,5,5-tetrahydrophthalimide ; BRN 0516952 ; NSC 179792 ; 5,6-Dihydro-4-dithiin-2,3-dicarboxylic acid imide . You should avoid contact 5,6-Dihydro-p-dithiin-2,3-dicarboximide (CAS NO.24519-85-5) with skin and eyes and not breathe dust.