S-Phenyl thioacetate - CAS 934-87-2

Catalog:	BB040939
Product Name:	S-Phenyl thioacetate
CAS:	934-87-2
Synonyms:	S-phenyl ethanethioate

Technical Data

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Computed Properties

IUPAC Name:	S-phenyl ethanethioate
Description:	S-Phenyl thioacetate (CAS# 934-87-2) is a useful research chemical.
Molecular Weight:	152.21
Molecular Formula:	C8H8OS
Canonical SMILES:	CC(=O)SC1=CC=CC=C1
InChI:	InChI=1S/C8H8OS/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3
InChI Key:	WBISVCLTLBMTDS-UHFFFAOYSA-N
Boiling Point:	99-100 °C6 mmHg (lit.)
Purity:	95 %
Density:	1.124 g/cm³
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD00008752
LogP:	2.32520

Publication Number	Title	Priority Date
CN-113292461-A	Synthesis method of etoricoxib intermediate 4-methylsulfonylacetophenone	20210526
CN-111170969-A	Compound with caramel cream flavor, preparation method thereof and edible essence	20200117
CN-111320560-A	Method for preparing sulfoxide compound by photocatalytic oxidation of thioether in aqueous phase	20191223
WO-2020227413-A1	Device for detecting organophosphates	20190507
CN-109796383-A	1- sulfur phenenyl-N- acetyl -2- naphthylamines and its derivative and synthetic method	20190119

PMID	Publication Date	Title	Journal
21724454	20111015	Density functional theory calculations of structure, FT-IR and Raman spectra of S-phenyl thioacetate	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
20560636	20090422	Toward homogeneous erythropoietin: fine tuning of the C-terminal acyl donor in the chemical synthesis of the Cys29-Gly77 glycopeptide domain	Journal of the American Chemical Society
15202918	20040625	Stereoselective one-pot synthesis of substituted (4Z)-2-alkyl-4-benzylidene- 4H-1,3-benzothiazines	The Journal of organic chemistry
11412818	20010601	Continuous monitoring of arylesterase in human serum	Clinica chimica acta; international journal of clinical chemistry

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Related Functional Groups

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Complexity:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.02958605
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	152.02958605
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2