AG00D7XB

52603-48-2 | 2-amino-3,5-Dicyanoacetophenone

AG00D7XB

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CAS Number	52603-48-2
Catalog Number	AG00D7XB(AGN-PC-0JWJ88)
Chemical Name	2-amino-3,5-Dicyanoacetophenone
EC Number	610-868-8
IUPAC Name	5-amino-3-methylthiophene-2,4-dicarbonitrile
InChI	InChI=1S/C7H5N3S/c1-4-5(2-8)7(10)11-6(4)3-9/h10H2,1H3
InChI Key	GCSCENSWKWQJQG-UHFFFAOYSA-N
MDL Number	MFCD01105451
Molecular Formula	C7H5N3S
Molecular Weight	163.1997
SMILES	N#CC1=C(C)C(C#N)=C(N)S1
UNII	Y9IXO9SXIQ
Synonyms	5-amino-3-methylthiophene-2,4-dicarbonitrile, 52603-48-2, UNII-Y9IXO9SXIQ, 2-AMINO-3,5-DICYANO-4-METHYLTHIOPHENE, Y9IXO9SXIQ, 5-amino-3-methyl-2,4-thiophenedicarbonitrile, 2-Amino-3,5-dicyanoacetophenone, AI-031/31968055, AC1LGDND, EC 610-868-8, AC1Q4R6B, 2,4-Thiophenedicarbonitrile, 5-amino-3-methyl-, SCHEMBL623186, CTK7C9315, GCSCENSWKWQJQG-UHFFFAOYSA-N, ZINC335260, FCH829440, MFCD01105451, SBB087703, AKOS001050980, MCULE-5364739865, ACM52603482, AK554577, DA-05190, CS-0061132, FT-0734468, ST51000840, 5-azanyl-3-methyl-thiophene-2,4-dicarbonitrile, A829166, AR-1G7149, CID819555, ZINC00335260, 52883-26-8,

Complexity	245
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.02g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	163.198g/mol
Monoisotopic Mass	163.02g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	102A^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-H412
Packing Group
Precautionary statements	P273
UN Code

Certificate of Analysis

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