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88324-86-1 | 1-Propanone, 2-(butylamino)-2-methyl-1-[4-(methylthio)phenyl]-
CAS No: 88324-86-1 Catalog No: AG0047DV MDL No:
Product Description
Catalog Number:
AG0047DV
Chemical Name:
1-Propanone, 2-(butylamino)-2-methyl-1-[4-(methylthio)phenyl]-
CAS Number:
88324-86-1
Molecular Formula:
C15H23NOS
Molecular Weight:
265.4142
IUPAC Name:
2-(butylamino)-2-methyl-1-(4-methylsulfanylphenyl)propan-1-one
InChI:
InChI=1S/C15H23NOS/c1-5-6-11-16-15(2,3)14(17)12-7-9-13(18-4)10-8-12/h7-10,16H,5-6,11H2,1-4H3
InChI Key:
QJULFVOTFFFWHL-UHFFFAOYSA-N
SMILES:
CCCCNC(C(=O)c1ccc(cc1)SC)(C)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.15g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.415g/mol
Monoisotopic Mass:
265.15g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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