AG00C3IF

28162-32-5 | (2-THIENYLMETHYLENE)METHANE-1,1-DICARBONITRILE

AG00C3IF

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CAS Number	28162-32-5
Catalog Number	AG00C3IF(AGN-PC-0JKNLX)
Chemical Name	(2-THIENYLMETHYLENE)METHANE-1,1-DICARBONITRILE
IUPAC Name	2-(thiophen-2-ylmethylidene)propanedinitrile
InChI	InChI=1S/C8H4N2S/c9-5-7(6-10)4-8-2-1-3-11-8/h1-4H
InChI Key	VABTYALPMVDJSR-UHFFFAOYSA-N
MDL Number	MFCD00114006
Molecular Formula	C8H4N2S
Molecular Weight	160.1958
SMILES	N#CC(C#N)=CC1=CC=CS1
UNII	4UV12O1HY0
Synonyms	28162-32-5, 2-(thiophen-2-ylmethylene)malononitrile, 2-(2-Thienylmethylene)malononitrile, (2-thienylmethylene)malononitrile, 2-Thienylmethylenemalononitrile, 2-Thiophenemethylenemalononitrile, MALONONITRILE, (2-THIENYLMETHYLENE)-, (2-thienylmethylene)methane-1,1-dicarbonitrile, NSC 506471, UNII-4UV12O1HY0, 4UV12O1HY0, 2-(thiophen-2-ylmethylidene)propanedinitrile, NSC659144, (thiophen-2-ylmethylidene)propanedinitrile, NSC506471, thienylmethylenemalononitrile, AC1L1R3C, ARONIS010094, SCHEMBL1172997, 2-(Thiophen-2-yl)malononitrile, CTK4G0936, DTXSID10182427, VABTYALPMVDJSR-UHFFFAOYSA-N, ZINC160875, (2-thienyl)methylidenemalononitrile, KS-00000LF3, KS-000041JS, BBL015496, EM-464, MFCD00114006, SBB087451, STK061162, 2-(2-thienylmethylidene)malononitrile, 2-(2-thienylmethylene)propanedinitrile, AKOS000281437, MCULE-6798338364, NSC-506471, NSC-659144, RP10216, 2-thiophene-2-ylmethylene malononitrile, propanedinitrile, (2-thienylmethylene)-, AJ-15649, AK124274, LS-89009, Propanedinitrile,2-(2-thienylmethylene)-, ZB007447, TR-012483, FT-0680592, H2595, ST45046826, 2-(thiophen-2-yl-methylene)-propanedinitrile, 2-[(thiophen-2-yl)methylidene]propanedinitrile, 7T-0099, J-506632, I14-31031, F0192-0846, InChI=1/C8H4N2S/c9-5-7(6-10)4-8-2-1-3-11-8/h1-4, C8-H4-N2-S, CID34175,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.01g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	160.194g/mol
Monoisotopic Mass	160.01g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	75.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number