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3-Cyano-2(1H)-pyridinethione

3-Cyano-2(1H)-pyridinethione structure

CAS No:
52505-45-0
Formula:
C6H4N2S
Chemical Name:
3-Cyano-2(1H)-pyridinethione
Synonyms:
3-Pyridinecarbonitrile,1,2-dihydro-2-thioxo-;1,2-Dihydro-2-thioxo-3-pyridinecarbonitrile;3-Cyano-2-mercaptopyridine;2-Mercapto-3-pyridinecarbonitrile;3-Cyano-2(1H)-pyridinethione;NSC 266131;2-Mercaptonicotinonitrile;3-Cyanopyridine-2-thiol;2-Thioxo-1,2-dihydro-pyridine-3-carbonitrile;2-Sulfanylidene-1H-pyridine-3-carbonitrile;2-Sulfanylpyridine-3-carbonitrile

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3-Cyano-2(1H)-pyridinethione Basic Attributes

Molecular Weight：

136.17400

Exact Mass：

136.17

NSC Number：

266131

DSSTox ID：

DTXSID00402722

HScode：

2933399090

Characteristics

PSA：

75.48000

XLogP3：

1.24198

Density：

1.32g/cm3

Melting Point：

248-250 °C @ Solvent: Acetonitrile

Boiling Point：

229.6ºC

Flash Point：

92.7ºC

Refractive Index：

1.664

Safety Information

Precautionary statement(s)：

P280; P305 + P351 + P338

Hazard Statements：

H302; H318

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:136.18
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:136.00951931
Monoisotopic Mass:136.00951931
Topological Polar Surface Area:67.9
Heavy Atom Count:9
Complexity:241
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Cyano-2(1H)-pyridinethione

Basic Attributes
Characteristics
Safety Information
Computed Properties

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