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Bismuththiol

  • Name Bismuththiol
  • EINECS214-014-1
  • CAS No. 1072-71-5
  • Density1.8 g/cm3
  • PSA131.62000
  • LogP1.11550
  • Solubility20 g/L (20 °C) in water
  • Melting Point161-165 °C
  • FormulaC2H2N2S3
  • Boiling Point211.3 °C at 760 mmHg
  • Molecular Weight150.249
  • Flash Point81.6 °C
  • Transport InformationN/A
  • Appearancewhite to light yellow crystal powder
  • Safety26-36-37/39
  • Risk Codes36-36/37/38
  • Molecular Structure
    Molecular Structure of 1072-71-5 (Bismuththiol)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data26

Bismuththiol Synthetic route

75-15-0

carbon disulfide

1072-71-5

2,5-Dimercapto-1,3,4-thiadiazole

Conditions
ConditionsYield
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 hydroxide87%
3815-86-9

malonic acid dihydrazide

75-15-0

carbon disulfide

A

141-82-2

malonic acid

B

1072-71-5

2,5-Dimercapto-1,3,4-thiadiazole

Conditions
ConditionsYield
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%
75-15-0

carbon disulfide

4146-43-4

succinic acid dihydrazide

A

110-15-6

succinic acid

B

1072-71-5

2,5-Dimercapto-1,3,4-thiadiazole

Conditions
ConditionsYield
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%
1072-71-5

5-mercapto-1,3,4-thiadiazole-2(3H)-thione

1072-71-5

2,5-Dimercapto-1,3,4-thiadiazole

Conditions
ConditionsYield
In argon matrix at -263.16℃; for 2h; UV-irradiation;

2,5-dimercapto-1,3,4-thiadiazole mono-sodium salt

1072-71-5

2,5-Dimercapto-1,3,4-thiadiazole

Conditions
ConditionsYield
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;
64630-63-3

1-acryloyloxymethyl-3,4-epoxycyclohexane

1072-71-5

2,5-Dimercapto-1,3,4-thiadiazole

C22H30N2O6S3

Conditions
ConditionsYield
With 2,5-bis(1,1-dimethylethyl)-1,4-benzenediol at 60℃; for 3h;99.6%

methacrylic acid 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester

1072-71-5

2,5-Dimercapto-1,3,4-thiadiazole

C24H34N2O6S3

Conditions
ConditionsYield
With 2,5-bis(1,1-dimethylethyl)-1,4-benzenediol at 40℃; for 5h;99.2%

methacrylic acid 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester

64630-63-3

1-acryloyloxymethyl-3,4-epoxycyclohexane

1072-71-5

2,5-Dimercapto-1,3,4-thiadiazole

C23H32N2O6S3

Conditions
ConditionsYield
With 2,5-bis(1,1-dimethylethyl)-1,4-benzenediol In isopropyl alcohol at 70℃; for 4h;98.9%
1072-71-5

2,5-Dimercapto-1,3,4-thiadiazole

97-00-7

1-chloro-2,4-dinitro-benzene

2,5-bis(2,4-dinitrophenylthio)-1,3,4-thiadiazole

Conditions
ConditionsYield
With sodium hydroxide In ethanol; water at 20℃; for 24h;98%
With potassium hydroxide In water; N,N-dimethyl-formamide Heating;93%
1072-71-5

2,5-Dimercapto-1,3,4-thiadiazole

1,3,4-thiadiazole-2,5-disulfonic acid

Conditions
ConditionsYield
With potassium permanganate Heating;98%

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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