ChemicalBook--->CAS DataBase List--->2196-13-6

2196-13-6

2196-13-6 Structure

2196-13-6 Structure
IdentificationMore
[Name]

THIOISONICOTINAMIDE
[CAS]

2196-13-6
[Synonyms]

4-PYRIDINECARBOTHIOAMIDE
4-PYRIDINETHIOCARBOXAMIDE
4-PYRIDYLTHIOCARBOXAMIDE
AKOS BBS-00004465
ISOTHIONICOTINAMIDE
LABOTEST-BB LT00111945
PYRIDINE-4-CARBOTHIOIC ACID AMIDE
PYRIDINE-4-THIOAMIDE
SALOR-INT L496626-1EA
THIOISONICOTINAMIDE
thio-4-pyridinecarboxamid
isonicotinthioamide
Pyridine-4-thiocarboxamide~Thioisonicotinamide
pyridine-4-thiocarboxamide
PYRIDINE-4-CARBOTHIOAMIDE
Isothionicotinamide, 98% (B25265 duplicate|)
4-Pyridinethioamide
4-Pyridinethioamide, 4-Pyridylthioamide, Pyridine-4-carbothioamide, Thioisonicotinamide
[EINECS(EC#)]

218-592-6
[Molecular Formula]

C6H6N2S
[MDL Number]

MFCD00006437
[Molecular Weight]

138.19
[MOL File]

2196-13-6.mol
Questions And AnswerBack Directory
[Synthesis]

Synthesis of thioisonicotinamide: 294 g of a 20% ammonium sulfide aqueous solution was added to a four-necked flask, and 4.2 g of sulfur was added with stirring. The mixture was heated and stirred until completely dissolved. 45 g of 4-cyanopyridine was added, and the temperature was raised to 40°C and maintained for 4 hours. After the reaction was completed, the temperature was lowered to 25°C, and the mixture was filtered. The filter cake was washed with distilled water at 70°C until neutral to obtain thioisonicotinamide, which was dried to give 47.3 g.
Chemical PropertiesBack Directory
[Appearance]

GREEN ADHERING POWDER
[Melting point ]

199 °C (D)
[Boiling point ]

279℃
[density ]

1.265
[refractive index ]

1.5300 (estimate)
[Fp ]

123℃
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[solubility ]

Methanol; Ethyl Acetate
[form ]

Crystalline Powder
[pka]

11.70±0.29(Predicted)
[color ]

Cream to beige to yellow-brown
[BRN ]

2174
[InChI]

InChI=1S/C6H6N2S/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)
[InChIKey]

KPIIGXWUNXGGCP-UHFFFAOYSA-N
[SMILES]

C1=NC=CC(C(N)=S)=C1
[CAS DataBase Reference]

2196-13-6(CAS DataBase Reference)
[EPA Substance Registry System]

4-Pyridinecarbothioamide (2196-13-6)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R42/43:May cause sensitization by inhalation and skin contact .
R36/37/38:Irritating to eyes, 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 .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

US4204000
[TSCA ]

Yes
[HazardClass ]

IRRITANT
[HS Code ]

29333990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

GREEN ADHERING POWDER
[Uses]

Thioisonicotinamide is an Impurity of Ethionamide (E890420) with tuberculostatic activity.
Spectrum DetailBack Directory
[Spectrum Detail]

THIOISONICOTINAMIDE(2196-13-6)MS
THIOISONICOTINAMIDE(2196-13-6)1HNMR
THIOISONICOTINAMIDE(2196-13-6)IR1
THIOISONICOTINAMIDE(2196-13-6)IR2
THIOISONICOTINAMIDE(2196-13-6)IR3
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Thioisonicotinamide, 98%(2196-13-6)
[Sigma Aldrich]

2196-13-6(sigmaaldrich)
[TCI AMERICA]

Thioisonicotinamide,>95.0%(T)(2196-13-6)
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