S- (2-Phenoxyethyl) thioacetate

CAT: 0024-sc-236684ASize: 10 gDry Ice: NoHazardous: No

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CAT#:0024-sc-236684ASize:10 g

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CAS Number

60359-72-0

Chemical Information

S-(2-Phenoxyethyl)thioacetate

CAS Number	60359-72-0
PubChem CID	4349544
IUPAC Name	S-(2-phenoxyethyl) ethanethioate
Molecular Formula	C10H12O2S
Molecular Weight	196.27
XLogP	2.3
Topological Polar Surface Area	51.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	13
Formal Charge	0
Complexity	153

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

InChIKey

MDZLAKVKAKOCPS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 60359-72-0

CID: 4349544

Formula: C10H12O2S

MW: 196.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.27
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	196.05580079
Monoisotopic Mass	196.05580079
Topological Polar Surface Area	51.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	153
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-229157	S-Furfuryl thioacetate
sc-236697	S-Phenyl thioacetate
sc-301715	S-4-Nitrobenzyl thioacetate
sc-280074	S-n-Butyl thioacetate
sc-301712	S- (4-Cyanobutyl) thioacetate
sc-301711	S- (11-Bromoundecyl) thioacetate
sc-258095	S-tert-Butyl thioacetate
sc-237069	Tetramethylammonium thioacetate
sc-253312	Potassium thioacetate
sc-473930	2-Phenoxyethyl Isobutyrate

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