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Details

Stereochemistry RACEMIC
Molecular Formula C6H12OS
Molecular Weight 132.224
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of S-METHYL 2-METHYLBUTANETHIOATE

SMILES

CCC(C)C(=O)SC

InChI

InChIKey=IAMIOPHEADLKFT-UHFFFAOYSA-N
InChI=1S/C6H12OS/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C6H12OS
Molecular Weight 132.224
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 Fri Dec 15 18:11:05 GMT 2023
Edited
by admin
on Fri Dec 15 18:11:05 GMT 2023
Record UNII
251520LC0C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
S-METHYL 2-METHYLBUTANETHIOATE
Systematic Name English
BUTANETHIOIC ACID, 2-METHYL-, S-METHYL ESTER
Common Name English
S-TROPICAL 2-THIOBUTYRATE
Common Name English
S-METHYL 2-METHYLBUTANETHIOATE, (±)-
Systematic Name English
FEMA NO. 3708
Code English
METHYL 2-METHYL(THIOBUTYRATE)
Systematic Name English
(±)-S-METHYL 2-METHYLBUTANETHIOATE
Systematic Name English
METHYLTHIO 2-METHYLBUTYRATE
FHFI  
Systematic Name English
METHYLTHIO 2-METHYLBUTYRATE [FHFI]
Common Name English
Classification Tree Code System Code
JECFA EVALUATION S-METHYL 2-METHYLBUTANETHIOATE
Created by admin on Fri Dec 15 18:11:05 GMT 2023 , Edited by admin on Fri Dec 15 18:11:05 GMT 2023
Code System Code Type Description
JECFA MONOGRAPH
114
Created by admin on Fri Dec 15 18:11:05 GMT 2023 , Edited by admin on Fri Dec 15 18:11:05 GMT 2023
PRIMARY
CAS
42075-45-6
Created by admin on Fri Dec 15 18:11:05 GMT 2023 , Edited by admin on Fri Dec 15 18:11:05 GMT 2023
PRIMARY
ECHA (EC/EINECS)
255-648-9
Created by admin on Fri Dec 15 18:11:05 GMT 2023 , Edited by admin on Fri Dec 15 18:11:05 GMT 2023
PRIMARY
EPA CompTox
DTXSID90866076
Created by admin on Fri Dec 15 18:11:05 GMT 2023 , Edited by admin on Fri Dec 15 18:11:05 GMT 2023
PRIMARY
FDA UNII
251520LC0C
Created by admin on Fri Dec 15 18:11:05 GMT 2023 , Edited by admin on Fri Dec 15 18:11:05 GMT 2023
PRIMARY
PUBCHEM
65285
Created by admin on Fri Dec 15 18:11:05 GMT 2023 , Edited by admin on Fri Dec 15 18:11:05 GMT 2023
PRIMARY