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87696-88-6 | 1-Butanone, 4-[(2-amino-4-chlorophenyl)thio]-1-(2-thienyl)-
CAS No: 87696-88-6 Catalog No: AG004GLU MDL No:
Product Description
Catalog Number:
AG004GLU
Chemical Name:
1-Butanone, 4-[(2-amino-4-chlorophenyl)thio]-1-(2-thienyl)-
CAS Number:
87696-88-6
Molecular Formula:
C14H14ClNOS2
Molecular Weight:
311.8501
IUPAC Name:
4-(2-amino-4-chlorophenyl)sulfanyl-1-thiophen-2-ylbutan-1-one
InChI:
InChI=1S/C14H14ClNOS2/c15-10-5-6-13(11(16)9-10)18-7-1-3-12(17)14-4-2-8-19-14/h2,4-6,8-9H,1,3,7,16H2
InChI Key:
RUINDZXVDXOASI-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)N)SCCCC(=O)c1cccs1
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.021g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.842g/mol
Monoisotopic Mass:
311.021g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
96.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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