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Bismuththiol

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Bismuththiol

EINECS 214-014-1
CAS No. 1072-71-5 Density 1.8 g/cm3
Solubility 20 g/L (20 °C) in water Melting Point 161-165 °C
Formula C2H2N2S3 Boiling Point 211.3 °C at 760 mmHg
Molecular Weight 150.24 Flash Point 81.6 °C
Transport Information Appearance white to light yellow crystal powder
Safety 26-36-37/39 Risk Codes 36-36/37/38
Molecular Structure Molecular Structure of 1072-71-5 (Bismuththiol) Hazard Symbols IrritantXi
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;

 

Bismuththiol Consensus Reports

Reported in EPA TSCA Inventory.

Bismuththiol 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.

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