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17654-88-5

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Basic Information
CAS No.: 17654-88-5
Name: 3-PHENYL-5-MERCAPTO-1,3,4-THIAZOLETHIONE POTASSIUM SALT
Article Data: 3
Molecular Structure:
Molecular Structure of 17654-88-5 (3-PHENYL-5-MERCAPTO-1,3,4-THIAZOLETHIONE POTASSIUM SALT)
Formula: C8H6 N2 S3
Molecular Weight: 226.347
Synonyms: D2-1,3,4-Thiadiazoline-5-thione,2-mercapto-4-phenyl- (6CI,8CI); 2-Mercapto-4-phenyl-1,3,4-thiadiazole-5-thione;2-Mercapto-4-phenyl-1,3,4-thiadiazoline-5-thione; 3-Phenylbismuthol;5-Mercapto-3-phenyl-1,3,4-thiadazole-2-thione;5-Mercapto-3-phenyl-1,3,4-thiadiazole-2-thione;5-Mercapto-3-phenyl-1,3,4-thiadiazoline-2-thione; Bismuthiol II
EINECS: 241-636-0
Density: 1.58g/cm3
Melting Point: 246.25°C
Boiling Point: 320°Cat760mmHg
Flash Point: 147.3°C
Safety: Moderately toxic by ingestion. A severe eye irritant. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also SULFIDES.
PSA: 116.95000
LogP: 2.95200
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Chemistry

Empirical Formula of Bismuthiol II (CAS NO.17654-88-5): C8H6N2S3
Molecular Weight: 226.3416 g/mol 
EINECS: 241-636-0
Index of Refraction: 1.846
Density: 1.58 g/cm3
Flash Point: 147.3 °C
Enthalpy of Vaporization: 56.16 kJ/mol
Boiling Point: 320 °C at 760 mmHg
Vapour Pressure: 0.000327 mmHg at 25 °C
Structure of Bismuthiol II (CAS NO.17654-88-5):
                       
IUPAC Name: 3-Phenyl-1,3,4-thiadiazolidine-2,5-dithione
Canonical SMILES: C1=CC=C(C=C1)N2C(=S)SC(=S)N2
InChI: InChI=1S/C8H6N2S3/c11-7-9-10(8(12)13-7)6-4-2-1-3-5-6/h1-5H,(H,9,11)
InChIKey: JRFUIXXCQSIOEB-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

eye-rbt 20 mg/24H SEV

     28ZPAK    Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,202.
2.    

orl-rat LD50:763 mg/kg

     28ZPAK    Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,202.

Safety Profile

Moderately toxic by ingestion. A severe eye irritant. When heated to decomposition Bismuthiol II (CAS NO.17654-88-5) emits very toxic fumes of NOx and SOx. See also SULFIDES.

Specification

 Bismuthiol II , its cas register number is 17654-88-5. It also can be called 5-Mercapto-3-phenyl-2H-1,3,4-thiadiazole-2-thione ; 3-Phenyl-1,3,4-thiadiazolidine-2,5-dithione ; and 1,3,4-Thiadiazolidine-2,5-dithione, 3-phenyl- (9CI) .