Propanethioic acid,S-phenyl ester

1. Names and Identifiers

1.2 Synonyms: (Phenylthio)propanone; 1-(phenylsulfanyl)propan-1-one; AC1N7I2D; AKOS006228459; CTK4D8205; DTXSID40401976; OR233717; Phenylthiopropionate; propanethioic acid s-phenyl ester; Propionicacid, thio-, S-phenyl ester (6CI,8CI); s-phenyl propanethioate; s-phenyl thiopropionate; S-PHENYL THIOPROPIONATE, 98;

2. Synthesis Route

18245-72-2Total: 24 Synthesis Route

108-98-5

18245-72-2

934-87-2 33 Suppliers

18245-72-2

3. Precursor and Product

precursor:

79306-18-6

120346-61-4

53074-84-3

120346-76-1

934-87-2

15296-86-3

3561-67-9

201230-82-2

product:

10264-12-7

91247-21-1

4. Computed Properties

Molecular Weight：166.238g/mol
Molecular Formula：C₉H₁₀OS
Compound Is Canonicalized：True
XLogP3-AA：166.04523611
Monoisotopic Mass：166.04523611
Complexity：128
Rotatable Bond Count：3
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：42.4
Heavy Atom Count：：11
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：AAADccBwIABAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgQAAAAACACA0AAyAYAAAAiIACBSAAACAAAgCBAIiBkAAIgIICKgERCAIAAggAAoiAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

5. Realated Product Infomation

1. Names and Identifiers