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144558-73-6 | 2-Thiophenecarbonitrile, 4-acetyl-3-methyl-5-(phenylamino)-
CAS No: 144558-73-6 Catalog No: AG001JQH MDL No:
Product Description
Catalog Number:
AG001JQH
Chemical Name:
2-Thiophenecarbonitrile, 4-acetyl-3-methyl-5-(phenylamino)-
CAS Number:
144558-73-6
Molecular Formula:
C14H12N2OS
Molecular Weight:
256.3229
IUPAC Name:
4-acetyl-5-anilino-3-methylthiophene-2-carbonitrile
InChI:
InChI=1S/C14H12N2OS/c1-9-12(8-15)18-14(13(9)10(2)17)16-11-6-4-3-5-7-11/h3-7,16H,1-2H3
InChI Key:
PPXJYGMLNUMGNL-UHFFFAOYSA-N
SMILES:
N#Cc1sc(c(c1C)C(=O)C)Nc1ccccc1
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.323g/mol
Monoisotopic Mass:
256.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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