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1072-71-5

Basic Information
CAS No.: 1072-71-5
Name: Bismuththiol
Molecular Structure:
Molecular Structure of 1072-71-5 (Bismuththiol)
Formula: C2H2N2S3
Molecular Weight: 150.24
Synonyms: 2, 5-Dimercapto-1,3,4-thiodiazole;2,5-Dimercapto-thiadiazole;2,5-Dimercapto-1,3,4-thiodiazole;Bismuthiol I;Dimercaptothiadiazole;1,3, 4-Thiadiazolidine-2,5-dithione;2, 5-Dimercapto-thiadiazole;2,5-Dimercaptothiadiazole;1,3,4-Thiadiazole-2,5-dithiol;D 2 (Chinese flotation agent);1,3,4-Thiadiazolidine-2,5-dithione(8CI9CI);2,5-Dimercapto-1,3,4-thiadiazole;1,3,4-thiadiazolidine-2,5-dithione;2,5-Dimercapto-1,3,4-Thiadiazol;2,5-Dimercapto-1,3,4-thiadiazole 98%;2,5-Dimercapto-1,3,4-thiadiazole (DMTD);bismuththiol; 2,5-dimercapto-1,3,4-thiadiazole;
EINECS: 214-014-1
Density: 1.8 g/cm3
Melting Point: 161-165 °C
Boiling Point: 211.3 °C at 760 mmHg
Flash Point: 81.6 °C
Solubility: 20 g/L (20 °C) in water
Appearance: white to light yellow crystal powder
Hazard Symbols: IrritantXi
Risk Codes: 36-36/37/38
Safety: 26-36-37/39
Transport Information:
PSA: 131.62000
LogP: 1.11550
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    Product Name: Bismuththiol Synonyms: 1,3,4-thiadiazol-dithiol-(2,5);1,3,4-Thiadiazolidine-2,5-dithione;2,5-Dimercapto-1,3,4-thiodiazole;BismuthonI;Dimercaptothiadiazole;Dimercapto-thiodiazol;py61h;usafa-835

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Bismuththiol , with cas registry number of 1072-71-5, has other registry numbers including 10472-91-0, 10502-35-9, and 66057-67-8. It also called Bismuththiol ; 2,5-Dimercapto-1,3,4-thiadiazole ; DMTD . The IUPAC name is 1,3,4-thiadiazolidine-2,5-dithione . The systematic name is also called 1,3,4-thiadiazolidine-2,5-dithione . It belongs to the categories of (1)API intermediates; (2)Analytical Chemistry; (3)Bipyridyls, etc. (Chelating Reagents); (4)Chelating Reagents.

Physical properties of Bismuththiol are: (1) ACD/LogP: 0.20 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): -0.02 ; (4) ACD/LogD (pH 7.4): -1.36 ; (5) ACD/BCF (pH 5.5): 1 ; (6) ACD/BCF (pH 7.4): 1 ; (7) ACD/KOC (pH 5.5): 18.25 ; (8) ACD/KOC (pH 7.4): 1 ; (9) #H bond acceptors: 2 ; (10) #H bond donors: 2 ; (11) #Freely Rotating Bonds: 0 ; (12) Index of Refraction: 1.902 ; (13) Molar Refractivity: 38.8 cm3 ; (14) Molar Volume: 83.2 cm3 ; (15) Surface Tension: 133 dyne/cm ; (16) Enthalpy of Vaporization: 44.76 kJ/mol ; (17) Vapour Pressure: 0.184 mmHg at 25°C.

Preparation of Bismuththiol : This chemical can be prepared by the carbon disulfide. The reaction occures in the solvent of liquid ammonia and ethanol using the reagent of Hydrazine hydrate for 1 hour. The yield is 62%.

Uses of Bismuththiol : (1) It is used as pharmaceutical intermediates, raw materials
of organic synthesis, analytical reagents, fuel additives, etc. (2) This compound is mainly used to prepare other chemicals. Here will give you a example. Bismuththiol is used to prepare the 3H,3'H-5,5'-disulfanediyl-bis-[1,3,4]thiadiazole-2-thione using solvent of Methanol for 48 hours. This process also needs irradiation. The yield is about 20%.

When you are using this chemical, please be cautious about it as the following:
The Bismuththiol is irritating to eyes, respiratory system and skin. It is poison by intraperitoneal route. When heated to decomposition, it emits very toxic fumes of NOx and SOx. When use it, wear suitable protective clothing, suitable gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES:S=C1SC(=S)NN1 ;
(2) InChI:InChI=1/C2H2N2S3/c5-1-3-4-2(6)7-1/h(H,3,5)(H,4,6) ;
(3) InChIKey:BIGYLAKFCGVRAN-UHFFFAOYAT

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD277-689,
quail LD50 oral > 316mg/kg (316mg/kg)   Ecotoxicology and Environmental Safety. Vol. 6, Pg. 149, 1982.