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Details

Stereochemistry RACEMIC
Molecular Formula C8H16OS
Molecular Weight 160.277
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(METHYLTHIO)HEPTANAL

SMILES

CCCCC(CC=O)SC

InChI

InChIKey=RQOSXGWCILNIKB-UHFFFAOYSA-N
InChI=1S/C8H16OS/c1-3-4-5-8(10-2)6-7-9/h7-8H,3-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C8H16OS
Molecular Weight 160.277
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 22:03:39 GMT 2023
Edited
by admin
on Fri Dec 15 22:03:39 GMT 2023
Record UNII
34IN72430S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(METHYLTHIO)HEPTANAL
Systematic Name English
3-(METHYLTHIO)HEPTANAL, (±)-
Systematic Name English
HEPTANAL, 3-(METHYLTHIO)-
Systematic Name English
(±)-3-(METHYLTHIO)HEPTANAL [FHFI]
Common Name English
FEMA NO. 4183
Code English
Classification Tree Code System Code
JECFA EVALUATION (+/-)-3-(METHYLTHIO)HEPTANAL
Created by admin on Fri Dec 15 22:03:39 GMT 2023 , Edited by admin on Fri Dec 15 22:03:39 GMT 2023
Code System Code Type Description
FDA UNII
34IN72430S
Created by admin on Fri Dec 15 22:03:39 GMT 2023 , Edited by admin on Fri Dec 15 22:03:39 GMT 2023
PRIMARY
JECFA MONOGRAPH
1679
Created by admin on Fri Dec 15 22:03:39 GMT 2023 , Edited by admin on Fri Dec 15 22:03:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID00966056
Created by admin on Fri Dec 15 22:03:39 GMT 2023 , Edited by admin on Fri Dec 15 22:03:39 GMT 2023
PRIMARY
PUBCHEM
57350395
Created by admin on Fri Dec 15 22:03:39 GMT 2023 , Edited by admin on Fri Dec 15 22:03:39 GMT 2023
PRIMARY
CAS
51755-70-5
Created by admin on Fri Dec 15 22:03:39 GMT 2023 , Edited by admin on Fri Dec 15 22:03:39 GMT 2023
PRIMARY