CAS:52505-45-0 / 2-thioxo-1,2-dihydropyridine-3-carbonitrile--Hangzhou Chempro Technology Co., Ltd.

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CAS Number: 52505-45-0
2-thioxo-1,2-dihydropyridine-3-carbonitrile

Structure
Name: 2-thioxo-1,2-dihydropyridine-3-carbonitrile
Synonyms:

General Information

Product Number: 52505450

CAS Registry Number 52505-45-0
Name:
3-Pyridinecarbonitrile, 1,2-dihydro-2-thioxo-
1,2-Dihydro-2-thioxo-3-pyridinecarbonitrile
2-Mercapto-3-pyridinecarbonitrile
2-Mercaptonicotinonitrile
2-Thioxo-1,2-dihydro-pyridine-3-carbonitrile
3-Cyano-2(1H)-pyridinethione

Chemical Formula: C6H4N2S
Exact Mass: 136.01
Molecular Weight: 136.17
m/z: 136.01 (100.0%), 137.01 (8.0%), 138.01 (4.6%)

InChI:InChI=1S/C6H4N2S/c7-4-5-2-1-3-8-6(5)9/h1-3H,(H,8,9)

InChI Key:VKEKYGNDJZUZTL-UHFFFAOYSA-N

Canonical SMILES:C1=CNC(=S)C(=C1)C#N

Thermal Properties	Value	Condition	Note
Melting Point	248-250 °C	Solv: acetonitrile (75-05-8)	(3)IC
Melting Point	243-246 °C	Solv: ethanol (64-17-5)	(2)IC
Melting Point	232-234 °C	Solv: ethanol (64-17-5)	(1)IC

Specification

98%

References

(1) Zawisza, Tadeusz; Acta Poloniae Pharmaceutica 1987, V44(1), P32-41 CAPLUS
(2) Dunn, A. D.; Journal of Heterocyclic Chemistry 1987, V24(1), P85-9 CAPLUS
(3) Guerrera, F.; Farmaco, Edizione Scientifica 1976, V31(1), P21-30 CAPLUS

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