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Details

Stereochemistry ACHIRAL
Molecular Formula C6H5O2S.Na
Molecular Weight 164.157
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 3-THIOPHENACETATE

SMILES

[Na+].[O-]C(=O)CC1=CSC=C1

InChI

InChIKey=OGOAIZAVJQMMGQ-UHFFFAOYSA-M
InChI=1S/C6H6O2S.Na/c7-6(8)3-5-1-2-9-4-5;/h1-2,4H,3H2,(H,7,8);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H5O2S
Molecular Weight 141.168
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:10:40 GMT 2023
Edited
by admin
on Sat Dec 16 08:10:40 GMT 2023
Record UNII
X3025HQ10F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 3-THIOPHENACETATE
Systematic Name English
3-THIOPHENEACETIC ACID, SODIUM SALT
Systematic Name English
3-THIOPHENEACETIC ACID, SODIUM SALT (1:1)
Systematic Name English
3-THIOPHENACETIC ACID SODIUM
Systematic Name English
Code System Code Type Description
CAS
149698-19-1
Created by admin on Sat Dec 16 08:10:40 GMT 2023 , Edited by admin on Sat Dec 16 08:10:40 GMT 2023
PRIMARY
FDA UNII
X3025HQ10F
Created by admin on Sat Dec 16 08:10:40 GMT 2023 , Edited by admin on Sat Dec 16 08:10:40 GMT 2023
PRIMARY
PUBCHEM
23679221
Created by admin on Sat Dec 16 08:10:40 GMT 2023 , Edited by admin on Sat Dec 16 08:10:40 GMT 2023
PRIMARY