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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 METHYL 4-(METHYLTHIO)BUTYRATE

SMILES

COC(=O)CCCSC

InChI

InChIKey=HQDLZISNHUMXEA-UHFFFAOYSA-N
InChI=1S/C6H12O2S/c1-8-6(7)4-3-5-9-2/h3-5H2,1-2H3

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

Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:29:06 GMT 2025
Edited
by admin
on Mon Mar 31 19:29:06 GMT 2025
Record UNII
36I1Z35638
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FEMA NO. 3412
Preferred Name English
METHYL 4-(METHYLTHIO)BUTYRATE
FHFI  
Systematic Name English
METHYL 4-(METHYL THIO) BUTYRATE
Common Name English
METHYL 4-(METHYLTHIO)BUTYRATE [FHFI]
Common Name English
METHYL .GAMMA.-(METHYLTHIO)BUTYRATE
Systematic Name English
BUTANOIC ACID, 4-(METHYLTHIO)-, METHYL ESTER
Common Name English
METHYL 4-(METHYLTHIO)BUTANOATE
Systematic Name English
METHYL .GAMMA.-(METHYLMERCAPTO)BUTYRATE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION METHYL 4-(METHYLTHIO)BUTYRATE
Created by admin on Mon Mar 31 19:29:06 GMT 2025 , Edited by admin on Mon Mar 31 19:29:06 GMT 2025
Code System Code Type Description
EPA CompTox
DTXSID00201095
Created by admin on Mon Mar 31 19:29:06 GMT 2025 , Edited by admin on Mon Mar 31 19:29:06 GMT 2025
PRIMARY
PUBCHEM
65425
Created by admin on Mon Mar 31 19:29:06 GMT 2025 , Edited by admin on Mon Mar 31 19:29:06 GMT 2025
PRIMARY
ECHA (EC/EINECS)
258-328-7
Created by admin on Mon Mar 31 19:29:06 GMT 2025 , Edited by admin on Mon Mar 31 19:29:06 GMT 2025
PRIMARY
JECFA MONOGRAPH
524
Created by admin on Mon Mar 31 19:29:06 GMT 2025 , Edited by admin on Mon Mar 31 19:29:06 GMT 2025
PRIMARY
FDA UNII
36I1Z35638
Created by admin on Mon Mar 31 19:29:06 GMT 2025 , Edited by admin on Mon Mar 31 19:29:06 GMT 2025
PRIMARY
CAS
53053-51-3
Created by admin on Mon Mar 31 19:29:06 GMT 2025 , Edited by admin on Mon Mar 31 19:29:06 GMT 2025
PRIMARY