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2-Mercapto-4,6-dimethylnicotinonitrile

2-Mercapto-4,6-dimethylnicotinonitrile structure

CAS No:
54585-47-6
Formula:
C8H8N2S
Chemical Name:
2-Mercapto-4,6-dimethylnicotinonitrile
Synonyms:
3-Pyridinecarbonitrile,1,2-dihydro-4,6-dimethyl-2-thioxo-;Nicotinonitrile,1,2-dihydro-4,6-dimethyl-2-thioxo-;1,2-Dihydro-4,6-dimethyl-2-thioxo-3-pyridinecarbonitrile;3-Cyano-2-mercapto-4,6-dimethylpyridine;2-Mercapto-4,6-dimethyl-3-pyridinecarbonitrile;2-Mercapto-4,6-dimethylnicotinonitrile;3-Cyano-4,6-dimethylpyridine-2-thiol;4,6-Dimethyl-2-mercaptonicotinonitrile;4,6-Dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile;4,6-Dimethyl-3-cyanopyridine-2(1H)-thione;3-Cyano-4,6-dimethyl-2-mercaptopyridine;4,6-Methyl-3-cyano-2(1H)-pyridinethione
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2-Mercapto-4,6-dimethylnicotinonitrile Basic Attributes

Molecular Weight：

164.23

Exact Mass：

164.23

BRN：

388803

DSSTox ID：

DTXSID00203014

HScode：

2933399090

Characteristics

PSA：

67.9

XLogP3：

Density：

1.21

Melting Point：

264 °C (decomp) @ Solvent: Acetic acid

Boiling Point：

250℃

Flash Point：

105℃

Refractive Index：

1.609

Safety Information

Packing level：

Ⅲ

Hazard category：

IRRITANT

Transport codes：

3276

hazard class code：

36/37/38

safety instructions：

26-36/37/39

RTECS Number：

US4201380

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:164.23
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:164.04081944
Monoisotopic Mass:164.04081944
Topological Polar Surface Area:67.9
Heavy Atom Count:11
Complexity:314
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-CYANO-4,6-DIMETHYL-2-MERCAPTOPYRIDINE

CAS No.: 54585-47-6

Content: 99.00%

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Guide of 2-Mercapto-4,6-dimethylnicotinonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties
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2-Mercapto-4,6-dimethylnicotinonitrile

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