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1443343-38-1 | Ethyl 2-(4-iso-butylphenyl)sulfanyl-2-oxo-acetate
CAS No: 1443343-38-1 Catalog No: AG01F9C0 MDL No:
Product Description
Catalog Number:
AG01F9C0
Chemical Name:
Ethyl 2-(4-iso-butylphenyl)sulfanyl-2-oxo-acetate
CAS Number:
1443343-38-1
Molecular Formula:
C14H18O3S
Molecular Weight:
266.3559
IUPAC Name:
ethyl 2-[4-(2-methylpropyl)phenyl]sulfanyl-2-oxoacetate
InChI:
InChI=1S/C14H18O3S/c1-4-17-13(15)14(16)18-12-7-5-11(6-8-12)9-10(2)3/h5-8,10H,4,9H2,1-3H3
InChI Key:
WDSHYSCXMYZKFK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)Sc1ccc(cc1)CC(C)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.098g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.355g/mol
Monoisotopic Mass:
266.098g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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