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CAS No.: | 1072-71-5 |
---|---|
Name: | Bismuththiol |
Article Data: | 26 |
Molecular Structure: | |
Formula: | C2H2N2S3 |
Molecular Weight: | 150.249 |
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: | Xi |
Risk Codes: | 36-36/37/38 |
Safety: | 26-36-37/39 |
PSA: | 131.62000 |
LogP: | 1.11550 |
Conditions | Yield |
---|---|
With hydrazine hydrate; sodium hydroxide In ethanol; water at 0℃; for 17.5h; Reflux; | 98% |
With hydrazine hydrate In ethanol at 80℃; for 4h; Temperature; | 93% |
With sulfuric acid; hydrazine hydrate; sodium hydroxide | 87% |
malonic acid dihydrazide
carbon disulfide
A
malonic acid
B
2,5-Dimercapto-1,3,4-thiadiazole
Conditions | Yield |
---|---|
Stage #1: malonic acid dihydrazide; carbon disulfide With potassium hydroxide In ethanol for 3h; Rearrangement; cyclization; Heating; Stage #2: With hydrogenchloride In ethanol Hydrolysis; ring cleavage; | A n/a B 90% |
carbon disulfide
succinic acid dihydrazide
A
succinic acid
B
2,5-Dimercapto-1,3,4-thiadiazole
Conditions | Yield |
---|---|
Stage #1: carbon disulfide; succinic acid dihydrazide With potassium hydroxide In ethanol for 3h; Rearrangement; cyclization; Heating; Stage #2: With hydrogenchloride In ethanol Hydrolysis; ring cleavage; | A n/a B 90% |
Conditions | Yield |
---|---|
In argon matrix at -263.16℃; for 2h; UV-irradiation; |
2,5-Dimercapto-1,3,4-thiadiazole
Conditions | Yield |
---|---|
Stage #1: 2,5-dimercapto-1,3,4-thiadiazole mono-sodium salt With sulfuric acid In water at 20℃; Inert atmosphere; Stage #2: Industry scale; |
1-acryloyloxymethyl-3,4-epoxycyclohexane
2,5-Dimercapto-1,3,4-thiadiazole
Conditions | Yield |
---|---|
With 2,5-bis(1,1-dimethylethyl)-1,4-benzenediol at 60℃; for 3h; | 99.6% |
2,5-Dimercapto-1,3,4-thiadiazole
Conditions | Yield |
---|---|
With 2,5-bis(1,1-dimethylethyl)-1,4-benzenediol at 40℃; for 5h; | 99.2% |
1-acryloyloxymethyl-3,4-epoxycyclohexane
2,5-Dimercapto-1,3,4-thiadiazole
Conditions | Yield |
---|---|
With 2,5-bis(1,1-dimethylethyl)-1,4-benzenediol In isopropyl alcohol at 70℃; for 4h; | 98.9% |
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol; water at 20℃; for 24h; | 98% |
With potassium hydroxide In water; N,N-dimethyl-formamide Heating; | 93% |
2,5-Dimercapto-1,3,4-thiadiazole
Conditions | Yield |
---|---|
With potassium permanganate Heating; | 98% |
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. |