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Details

Stereochemistry RACEMIC
Molecular Formula C5H12OS
Molecular Weight 120.213
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TERT-BUTYL METHYL SULFOXIDE

SMILES

C[S+]([O-])C(C)(C)C

InChI

InChIKey=YPRPSRLQZMDWFO-UHFFFAOYSA-N
InChI=1S/C5H12OS/c1-5(2,3)7(4)6/h1-4H3

HIDE SMILES / InChI

Molecular Formula C5H12OS
Molecular Weight 120.213
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Absolute configuration, predominant conformations, and vibrational circular dichroism spectra of enantiomers of n-butyl tert-butyl sulfoxide.
2001-02-23
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:20:28 GMT 2025
Edited
by admin
on Mon Mar 31 21:20:28 GMT 2025
Record UNII
F9Y19RB6KO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TERT-BUTYL METHYL SULFOXIDE
Systematic Name English
(±)-TERT-BUTYL METHYL SULFOXIDE
Preferred Name English
SULFOXIDE, TERT-BUTYL METHYL
Systematic Name English
2-METHANESULFINYL-2-METHYLPROPANE
Common Name English
TERT-BUTYL METHYL SULPHOXIDE
Systematic Name English
2-METHYL-2-(METHYLSULFINYL)PROPANE
Systematic Name English
PROPANE, 2-METHYL-2-(METHYLSULFINYL)-
Systematic Name English
METHYL TERT-BUTYL SULFOXIDE
Systematic Name English
Code System Code Type Description
FDA UNII
F9Y19RB6KO
Created by admin on Mon Mar 31 21:20:28 GMT 2025 , Edited by admin on Mon Mar 31 21:20:28 GMT 2025
PRIMARY
CAS
14094-11-2
Created by admin on Mon Mar 31 21:20:28 GMT 2025 , Edited by admin on Mon Mar 31 21:20:28 GMT 2025
PRIMARY
PUBCHEM
139684
Created by admin on Mon Mar 31 21:20:28 GMT 2025 , Edited by admin on Mon Mar 31 21:20:28 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE