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Details

Stereochemistry RACEMIC
Molecular Formula C10H12O3S
Molecular Weight 212.265
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[3-(Mercaptomethyl)phenoxy]propanoic acid

SMILES

CC(OC1=CC=CC(CS)=C1)C(O)=O

InChI

InChIKey=RKQNEZAUXLNGJJ-UHFFFAOYSA-N
InChI=1S/C10H12O3S/c1-7(10(11)12)13-9-4-2-3-8(5-9)6-14/h2-5,7,14H,6H2,1H3,(H,11,12)

HIDE SMILES / InChI

Molecular Formula C10H12O3S
Molecular Weight 212.265
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:26:53 GMT 2023
Edited
by admin
on Sat Dec 16 17:26:53 GMT 2023
Record UNII
LHK3UX2AXP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[3-(Mercaptomethyl)phenoxy]propanoic acid
Systematic Name English
2-[3-(Sulfanylmethyl)phenoxy]propanoic acid
Systematic Name English
Propanoic acid, 2-[3-(mercaptomethyl)phenoxy]-
Systematic Name English
Code System Code Type Description
CAS
66477-43-8
Created by admin on Sat Dec 16 17:26:53 GMT 2023 , Edited by admin on Sat Dec 16 17:26:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID50985116
Created by admin on Sat Dec 16 17:26:53 GMT 2023 , Edited by admin on Sat Dec 16 17:26:53 GMT 2023
PRIMARY
PUBCHEM
3017681
Created by admin on Sat Dec 16 17:26:53 GMT 2023 , Edited by admin on Sat Dec 16 17:26:53 GMT 2023
PRIMARY
FDA UNII
LHK3UX2AXP
Created by admin on Sat Dec 16 17:26:53 GMT 2023 , Edited by admin on Sat Dec 16 17:26:53 GMT 2023
PRIMARY