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Details

Stereochemistry RACEMIC
Molecular Formula C6H12O2S
Molecular Weight 148.223
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-MERCAPTO-1-BUTYL ACETATE

SMILES

CC(S)CCOC(C)=O

InChI

InChIKey=GMXSGLCDVHHWIB-UHFFFAOYSA-N
InChI=1S/C6H12O2S/c1-5(9)3-4-8-6(2)7/h5,9H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C6H12O2S
Molecular Weight 148.223
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 20:18:53 GMT 2023
Edited
by admin
on Fri Dec 15 20:18:53 GMT 2023
Record UNII
8D8DW6O2XV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-MERCAPTO-1-BUTYL ACETATE
Systematic Name English
(±)-3-MERCAPTO-1-BUTYL ACETATE [FHFI]
Common Name English
1,3-BUTANEDITHIOL, 1-ACETATE
Common Name English
FEMA NO. 4325
Code English
1-BUTANOL, 3-MERCAPTO-, 1-ACETATE
Common Name English
3-THIOBUTYL ACETATE
Common Name English
3-MERCAPTOBUTYL ACETATE
Systematic Name English
3-MERCAPTO-1-BUTYL ACETATE, (±)-
Systematic Name English
Code System Code Type Description
PUBCHEM
6430878
Created by admin on Fri Dec 15 20:18:53 GMT 2023 , Edited by admin on Fri Dec 15 20:18:53 GMT 2023
PRIMARY
JECFA MONOGRAPH
1692
Created by admin on Fri Dec 15 20:18:53 GMT 2023 , Edited by admin on Fri Dec 15 20:18:53 GMT 2023
PRIMARY
CAS
89534-38-3
Created by admin on Fri Dec 15 20:18:53 GMT 2023 , Edited by admin on Fri Dec 15 20:18:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID901008860
Created by admin on Fri Dec 15 20:18:53 GMT 2023 , Edited by admin on Fri Dec 15 20:18:53 GMT 2023
PRIMARY
FDA UNII
8D8DW6O2XV
Created by admin on Fri Dec 15 20:18:53 GMT 2023 , Edited by admin on Fri Dec 15 20:18:53 GMT 2023
PRIMARY