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Details

Stereochemistry RACEMIC
Molecular Formula C7H14OS
Molecular Weight 146.25
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYLTHIOHEXANAL

SMILES

CCCC(CC=O)SC

InChI

InChIKey=VIVJHDGDCOQORO-UHFFFAOYSA-N
InChI=1S/C7H14OS/c1-3-4-7(9-2)5-6-8/h6-7H,3-5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C7H14OS
Molecular Weight 146.25
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 22:13:28 GMT 2023
Edited
by admin
on Fri Dec 15 22:13:28 GMT 2023
Record UNII
1U9V3213BJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYLTHIOHEXANAL
FHFI  
Systematic Name English
(±)-3-METHYLTHIOHEXANAL
Systematic Name English
FEMA NO. 3877
Code English
3-(METHYLTHIO)HEXANAL
Systematic Name English
HEXANAL, 3-(METHYLTHIO)-
Systematic Name English
3-METHYLTHIOHEXANAL [FHFI]
Common Name English
3-METHYLTHIOHEXANAL, (±)-
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 3-METHYLTHIOHEXANAL
Created by admin on Fri Dec 15 22:13:28 GMT 2023 , Edited by admin on Fri Dec 15 22:13:28 GMT 2023
Code System Code Type Description
ECHA (EC/EINECS)
253-929-0
Created by admin on Fri Dec 15 22:13:28 GMT 2023 , Edited by admin on Fri Dec 15 22:13:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID80865912
Created by admin on Fri Dec 15 22:13:28 GMT 2023 , Edited by admin on Fri Dec 15 22:13:28 GMT 2023
PRIMARY
FDA UNII
1U9V3213BJ
Created by admin on Fri Dec 15 22:13:28 GMT 2023 , Edited by admin on Fri Dec 15 22:13:28 GMT 2023
PRIMARY
JECFA MONOGRAPH
528
Created by admin on Fri Dec 15 22:13:28 GMT 2023 , Edited by admin on Fri Dec 15 22:13:28 GMT 2023
PRIMARY
CAS
38433-74-8
Created by admin on Fri Dec 15 22:13:28 GMT 2023 , Edited by admin on Fri Dec 15 22:13:28 GMT 2023
PRIMARY
PUBCHEM
3015979
Created by admin on Fri Dec 15 22:13:28 GMT 2023 , Edited by admin on Fri Dec 15 22:13:28 GMT 2023
PRIMARY