3-oxobutanethioic acid S-phenyl ester

1. Names and Identifiers

2. Synthesis Route

40053-29-0Total: 6 Synthesis Route

934-87-2 33 Suppliers

40053-29-0

108-98-5

40053-29-0

3. Precursor and Product

precursor:

5394-63-8

934-87-2

105-45-3

141-97-9

674-82-8

product:

951-02-0

83559-38-0

771-40-4

83559-36-8

6947-02-0

92-85-3

541-50-4

108-21-4

542-08-5

4. Computed Properties

Molecular Weight：194.25g/mol
Molecular Formula：C₁₀H₁₀O₂S
Compound Is Canonicalized：True
Exact Mass：2.1
XLogP3-AA：194.04015073
Monoisotopic Mass：194.04015073
Complexity：195
Rotatable Bond Count：4
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：3
Topological Polar Surface Area：59.4
Heavy Atom Count：：13
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBwMABAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgQAAAAACASA0AAyAYAAAAiIAKBSAAACAAAgCBAIiBkAAIgIIDKoERCAIAAggAAoiAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

5. Realated Product Infomation

1. Names and Identifiers