S-(2-Phenoxyethyl)thioacetate - CAS 60359-72-0

Catalog:	BB030665
Product Name:	S-(2-Phenoxyethyl)thioacetate
CAS:	60359-72-0
Synonyms:	S-(2-phenoxyethyl) ethanethioate

Technical Data

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Computed Properties

IUPAC Name:	S-(2-phenoxyethyl) ethanethioate
Description:	S-(2-Phenoxyethyl)thioacetate (CAS# 60359-72-0 ) is a useful research chemical.
Molecular Weight:	196.27
Molecular Formula:	C10H12O2S
Canonical SMILES:	CC(=O)SCCOC1=CC=CC=C1
InChI:	InChI=1S/C10H12O2S/c1-9(11)13-8-7-12-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChI Key:	MDZLAKVKAKOCPS-UHFFFAOYSA-N
Boiling Point:	296.7 °C at 760 mmHg
Density:	1.127 g/cm³
Appearance:	Solid
MDL:	MFCD03094014
LogP:	2.34510

Publication Number	Title	Priority Date
WO-2015095952-A1	Var2csa-drug conjugates	20131227
EP-1505968-A1	Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes	20020513
WO-03097047-A1	Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes	20020513
WO-0216380-A1	New macrolides with antibacterial activity	20000822

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Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.05580079
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	196.05580079
Rotatable Bond Count:	5
Topological Polar Surface Area:	51.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3