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Details

Stereochemistry ACHIRAL
Molecular Formula C6H12O2S
Molecular Weight 148.223
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (tert-Butylthio)acetic acid

SMILES

CC(C)(C)SCC(O)=O

InChI

InChIKey=JXOAXKCHGMRTGL-UHFFFAOYSA-N
InChI=1S/C6H12O2S/c1-6(2,3)9-4-5(7)8/h4H2,1-3H3,(H,7,8)

HIDE SMILES / InChI

Molecular Formula C6H12O2S
Molecular Weight 148.223
Charge 0
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 Tue Apr 01 17:48:10 GMT 2025
Edited
by admin
on Tue Apr 01 17:48:10 GMT 2025
Record UNII
UY4N24QQX2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(tert-Butylthio)acetic acid
Systematic Name English
[(1,1-Dimethylethyl)thio] acetic acid
Preferred Name English
2-[(1,1-Dimethylethyl)thio]acetic acid
Systematic Name English
Acetic acid, 2-[(1,1-dimethylethyl)thio]-
Systematic Name English
NSC-78428
Code English
Code System Code Type Description
EPA CompTox
DTXSID70179050
Created by admin on Tue Apr 01 17:48:10 GMT 2025 , Edited by admin on Tue Apr 01 17:48:10 GMT 2025
PRIMARY
PUBCHEM
90460
Created by admin on Tue Apr 01 17:48:10 GMT 2025 , Edited by admin on Tue Apr 01 17:48:10 GMT 2025
PRIMARY
ECHA (EC/EINECS)
246-150-2
Created by admin on Tue Apr 01 17:48:10 GMT 2025 , Edited by admin on Tue Apr 01 17:48:10 GMT 2025
PRIMARY
NSC
78428
Created by admin on Tue Apr 01 17:48:10 GMT 2025 , Edited by admin on Tue Apr 01 17:48:10 GMT 2025
PRIMARY
FDA UNII
UY4N24QQX2
Created by admin on Tue Apr 01 17:48:10 GMT 2025 , Edited by admin on Tue Apr 01 17:48:10 GMT 2025
PRIMARY
CAS
24310-22-3
Created by admin on Tue Apr 01 17:48:10 GMT 2025 , Edited by admin on Tue Apr 01 17:48:10 GMT 2025
PRIMARY