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142148-04-7 | Propanoic acid, 3-(acetylthio)-2-methyl-, ethyl ester
CAS No: 142148-04-7 Catalog No: AG001HUN MDL No:
Product Description
Catalog Number:
AG001HUN
Chemical Name:
Propanoic acid, 3-(acetylthio)-2-methyl-, ethyl ester
CAS Number:
142148-04-7
Molecular Formula:
C8H14O3S
Molecular Weight:
190.2600
IUPAC Name:
ethyl 3-acetylsulfanyl-2-methylpropanoate
InChI:
InChI=1S/C8H14O3S/c1-4-11-8(10)6(2)5-12-7(3)9/h6H,4-5H2,1-3H3
InChI Key:
SIHZGXAHFFTEBL-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(CSC(=O)C)C
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.066g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.257g/mol
Monoisotopic Mass:
190.066g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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