| Identification | More | [Name]
PYRIDINE-2-THIOAMIDE | [CAS]
5346-38-3 | [Synonyms]
2-PYRIDINETHIOCARBOXAMIDE
CHEMBRDG-BB 4017339
PYRIDINE-2-CARBOTHIOIC ACID AMIDE
PYRIDINE-2-THIOAMIDE
2-pyridinecarbothioamide
2-thiocarbamoylpyridine
2-thiopicolinamide
picolinicacidthioamide
picolinothioamide
thio-2-pyridinecarboxamide
thio-picolinamid
PYRIDINE-2-CARBOTHIOAMIDE
2-Pyridinethioamide
2-Pyridylthioamide, Pyridine-2-carbothioamide
Thiopicolinamide | [EINECS(EC#)]
147-856-9 | [Molecular Formula]
C6H6N2S | [MDL Number]
MFCD00087576 | [Molecular Weight]
138.19 | [MOL File]
5346-38-3.mol |
| Chemical Properties | Back Directory | [Melting point ]
134-138 °C | [Boiling point ]
278.9±32.0 °C(Predicted) | [density ]
1.265±0.06 g/cm3(Predicted) | [Fp ]
160 °C | [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
DMF: 30 mg/ml; DMSO: 30 mg/ml; DMSO:PBS(pH7.2) (1:1): 0.5 mg/ml; Ethanol: 10 mg/ml | [form ]
Crystalline Powder | [pka]
11.98±0.29(Predicted) | [color ]
Yellow | [InChI]
InChI=1S/C6H6N2S/c7-6(9)5-3-1-2-4-8-5/h1-4H,(H2,7,9) | [InChIKey]
HYKQYVSNFPWGKQ-UHFFFAOYSA-N | [SMILES]
C1(C(N)=S)=NC=CC=C1 | [CAS DataBase Reference]
5346-38-3(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R43:May cause sensitization by skin contact.
R41:Risk of serious damage to eyes.
R37/38:Irritating to respiratory system and skin .
R22:Harmful if swallowed. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
3 | [RTECS ]
TJ4305500 | [HazardClass ]
IRRITANT | [HS Code ]
29333999 |
| Hazard Information | Back Directory | [Uses]
2-Pyridinecarbothioamide is a building block, that can be used for synthesis of Zn2+ responsive fluorescent probe[1]. | [Synthesis]
General Steps:
a. Diphosphorus tetrasulfide (115 g, 0.5 mol) was slowly added to 250 mL of 20% ammonia in methanol solution containing 4-cyanopyridine (52 g, 0.5 mol) under vigorous stirring, ensuring that the temperature of the reaction mixture was maintained below 35-40°C. b. The reaction mixture was allowed to run for 12 hours at room temperature. The reaction mixture was stirred at room temperature for 12 hours. Upon completion of the reaction, 150 mL of water was added and the mixture was heated to 70-75 °C via a water bath until gas release ceased. After cooling to room temperature, the precipitate was collected by filtration, washed well with water and then dried. The product pyridine-2-carboxy sulfate amine was obtained in 89% yield (61.8 g) with an Rf value of 0.45 and a melting point of 137 °C (literature value: 136-137 °C). Elemental analysis result (%): C 52.09, H 4.31, N 20.30, S 23.30; theoretical value (C6H6N2S): C 52.15, H 4.38, N 20.27, S 23.20. | [References]
[1] Watanabe Y, et al. A zinc-responsive fluorophore based on 5′-(p-hydroxyphenyl)-pyridylthiazole[J]. Materials Chemistry Frontiers, 2020, 4(3): 899-904. |
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