S- (4-Ethynylphenyl) ethanethioate

CAT: 0127-OR1076975Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1076975Size:100 mg

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CAS Number

170159-24-7

Purity

98%

Smiles

C#CC1=CC=C (SC (C) =O) C=C1

Chemical Information

S-(4-ethynylphenyl) ethanethioate

CAS Number	170159-24-7
PubChem CID	5232571
IUPAC Name	S-(4-ethynylphenyl) ethanethioate
Molecular Formula	C10H8OS
Molecular Weight	176.24
XLogP	2.5
Topological Polar Surface Area	42.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	205

SMILES

CC(=O)SC1=CC=C(C=C1)C#C

InChI

InChI=1S/C10H8OS/c1-3-9-4-6-10(7-5-9)12-8(2)11/h1,4-7H,2H3

InChIKey

SUKCGDCKAJESMC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 170159-24-7

CID: 5232571

Formula: C10H8OS

MW: 176.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	176.24
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	176.02958605
Monoisotopic Mass	176.02958605
Topological Polar Surface Area	42.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	205
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
OR1050314-01	S-4-Cyanobenzyl ethanethioate
OR1006665	S- (4-Iodophenyl) ethanethioate
OR1070136-01	S- (4-Bromophenyl) ethanethioate
OR1052095-01	S- (4-Bromobutyl) ethanethioate
OR1069842-01	S-4-Ethynylbenzyl ethanethioate
OR1058010-01	S- (3,4-Dimethoxyphenyl) ethanethioate
OR1046495-01	S- (o-Tolyl) ethanethioate
OR1060393-01	S- (2-Cyanoethyl) ethanethioate
OR1050313-01	S-2-Methylbenzyl ethanethioate
OR1040473-01	S- (3-hydroxypropyl) ethanethioate

Catalog	Name
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TRC-P283630-50MG	S-Pent-4-yn-1-yl Ethanethioate
TRC-T688515-1G	S-(3,4,4-Trifluorobut-3-en-1-yl) Ethanethioate
290892-01	S-4- (4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl) benzyl ethanethioate
TRC-D476430-25MG	S-((1-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)cyclopropyl)methyl) Ethanethioate
166346	S- ((1- (2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl) cyclopropyl) methyl) Ethanethioate
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TRC-S683101-25MG	S-((6S,7S,8R,9S,10R,13S,14S,17R)-6-Hydroxy-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-yl) ethanethioate-d3