AG006VNW

52200-22-3 | 3-(Dimethylamino)-2-(thiophene-2-carbonyl)acrylonitrile

AG006VNW

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CAS Number	52200-22-3
Catalog Number	AG006VNW(AGN-PC-03NMKB)
Chemical Name	3-(Dimethylamino)-2-(thiophene-2-carbonyl)acrylonitrile
IUPAC Name	(E)-3-(dimethylamino)-2-(thiophene-2-carbonyl)prop-2-enenitrile
InChI	InChI=1S/C10H10N2OS/c1-12(2)7-8(6-11)10(13)9-4-3-5-14-9/h3-5,7H,1-2H3/b8-7+
InChI Key	JQZFGDHPUCKBHT-BQYQJAHWSA-N
MDL Number	MFCD00120337
Molecular Formula	C10H10N2OS
Molecular Weight	206.2642
SMILES	CN(C)C=C(C#N)C(=O)C1=CC=CS1
Synonyms	52200-22-3, 2-[(Dimethylamino)methylene]-3-oxo-3-(2-thienyl)propanenitrile, 3-(Dimethylamino)-2-(2-thienylcarbonyl)acrylonitrile, (E)-3-(dimethylamino)-2-(thiophene-2-carbonyl)acrylonitrile, 3-(dimethylamino)-2-(thiophene-2-carbonyl)prop-2-enenitrile, 3-(dimethylamino)-2-thienoyl-2-propenenitrile, 3-(Dimethylamino)-2-(2-thienylcarbonyl)-acrylonitrile, PubChem12873, AC1MD2T5, (E)-3-(dimethylamino)-2-(thiophene-2-carbonyl)prop-2-enenitrile, SCHEMBL13916092, ZINC139997, 7344AB, MFCD00120337, SBB093693, AKOS005072806, dimethylaminothienylcarbonylacrylonitrile, DS-7205, FB-0726, FCH1326217, FCH3699150, FCH4162455, RP12030, AJ-12387, CC-08349, AX8011802, TR-018543, 2-(2-Thenoyl)-3-(dimethylamino)acrylonitrile, 3-(Dimethylamino)-2-(2-thenoyl)acrylonitrile, C-10305, I05-1899, J-510872, (2E)-3-(dimethylamino)-2-(2-thienylcarbonyl)prop-2-enenitrile, 2-[(Dimethylamino)methylene]-3-oxo-3-(thien-2-yl)propanenitrile, (2E)-3-(dimethylamino)-2-[(E)-thiophene-2-carbonyl]prop-2-enenitrile, 2-METHOXYPROP-1-ENE, C10H10N2OS, ZINC00139997, CID2804845, 3-(Dimethylamino)-2-(thiophene-2-carbonyl)acrylonitrile, 2-[ METHYLENE]-3-OXO-3- PROPANENITRILE,

Complexity	301
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	206.051g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	206.263g/mol
Monoisotopic Mass	206.051g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	72.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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