AG003JBY

54585-47-6 | 4,6-Dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile

AG003JBY

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CAS Number	54585-47-6
Catalog Number	AG003JBY(AGN-PC-0JUSP4)
Chemical Name	4,6-Dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile
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
MDL Number	MFCD00051684
Molecular Formula	C8H8N2S
Molecular Weight	164.2275
SMILES	N#CC1=C(C)C=C(C)NC1=S
Synonyms	54585-47-6, 2-Mercapto-4,6-dimethylnicotinonitrile, 4,6-dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile, 4,6-dimethyl-2-sulfanylpyridine-3-carbonitrile, 3-CYANO-4,6-DIMETHYL-2-MERCAPTOPYRIDINE, 3-Pyridinecarbonitrile, 1,2-dihydro-4,6-dimethyl-2-thioxo-, 1,2-Dihydro-4,6-dimethyl-2-thioxo-3-pyridinecarbonitrile, 4,6-Dimethyl-2-mercaptopyridine-3-carbonitrile, CZRHEROEPICLRO-UHFFFAOYSA-N, 4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile, 3-Pyridinecarbonitrile,1,2-dihydro-4,6-dimethyl-2-thioxo-, Pyridine-3-carbonitrile, 1,2-dihydro-4,6-dimethyl-2-thioxo-, 4,6-dimethyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile, MFCD00051684, 4,6-dimethyl-2-mercaptonicotinonitrile, AC1LDWR5, AC1Q2HSC, Maybridge1_006153, ACMC-1B11Q, ARONIS011863, SCHEMBL3985050, SCHEMBL9820043, CTK5A1809, HMS558P15, RSCBB000321, ZINC39678, DTXSID00203014, HMS1726B01, ALBB-008763, CCG-1482, KS-000010OV, KS-000042WI, sulfanyl-4,6-dimethylnicotinonitrile, BBL015180, SBB005712, STK347690, STK505554, AKOS000266836, AKOS000271417, 4,6-Dimethyl-2-sulfanylnicotinonitrile, ACN-025082, MCULE-6211386244, 2-mercapto-4,6-dimethyl-nicotinonitrile, 11L-559S, 4,6-Dimethyl-2-sulfanylnicotinonitrile #, AM804028, CS-10684, ZB001169, AB0001321, AB0117261, LS-130368, TR-019293, 3-Cyano-4,6-dimethylpyridine-2(1H)-thione, BB 0218369, BB 0242200, FT-0615545, H2784, R2502, ST45026909, X5160, EN300-10240, 2-Mercapto-4,6-dimethylpyridine-3-carbonitrile, 4K-009, 3-Cyano-2-mercapto-4,6-dimethylpyridine, 98%, 4,6-dimethyl-2-sulfanyl-pyridine-3-carbonitrile, I02-4281, Z56761422, F1727-0219, 4,6-DIMETHYL-2-THIOXO-1,2-DIHYDRO-PYRIDINE-3-CARBONITRILE, C8H8N2S, C8-H8-N2-S, CID676510, ZINC00039678,

Complexity	314
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.041g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	164.226g/mol
Monoisotopic Mass	164.041g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	67.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H318
Packing Group	Ⅲ
Precautionary statements	P280-P301+P310-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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