2-Mercapto-4,6-dimethylnicotinonitrile, 95%

Name: 2-Mercapto-4,6-dimethylnicotinonitrile
Brand: Chempure

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CAS Number

54585-47-6

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About this item

IUPAC name	4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
inchi	InChI=1S/C8H8N2S/c1-5-3-6(2)10-8(11)7(5)4-9/h3H,1-2H3,(H,10,11)
inchi key	CZRHEROEPICLRO-UHFFFAOYSA-N
molecular formula	C8H8N2S
synonyms	54585-47-6 2-Mercapto-4,6-dimethylnicotinonitrile 4,6-dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile 3-CYANO-4,6-DIMETHYL-2-MERCAPTOPYRIDINE 4,6-dimethyl-2-sulfanylpyridine-3-carbonitrile

Computed Properties

Molecular Weight:	164.23 g/mol
XLogP3:	1
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	0
Exact Mass:	164.04081944 g/mol
Monoisotopic Mass:	164.04081944 g/mol
Topological Polar Surface Area:	67.9 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	314
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Acute Tox. 3 (90.5%) Skin Irrit. 2 (100%) Eye Dam. 1 (90.5%) STOT SE 3 (100%) Acute Tox. 4 (100%) Eye Irrit. 2A (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H301 (90.5%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (90.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Product No: CH9342

2-Mercapto-4,6-dimethylnicotinonitrile, 95%

Product No: CH9342

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Product No: CH9342

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SAFETY AND HAZARDS

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