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Details

Stereochemistry RACEMIC
Molecular Formula C8H14O2S
Molecular Weight 174.261
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(ACETYLTHIO)HEXANAL

SMILES

CCCC(CC=O)SC(C)=O

InChI

InChIKey=OQUGQLWJRJXLOV-UHFFFAOYSA-N
InChI=1S/C8H14O2S/c1-3-4-8(5-6-9)11-7(2)10/h6,8H,3-5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C8H14O2S
Molecular Weight 174.261
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 Sat Dec 16 14:51:02 GMT 2023
Edited
by admin
on Sat Dec 16 14:51:02 GMT 2023
Record UNII
3EN9VAZ10I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(ACETYLTHIO)HEXANAL
Systematic Name English
FEMA NO. 4791
Code English
Code System Code Type Description
CAS
22236-44-8
Created by admin on Sat Dec 16 14:51:02 GMT 2023 , Edited by admin on Sat Dec 16 14:51:02 GMT 2023
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FDA UNII
3EN9VAZ10I
Created by admin on Sat Dec 16 14:51:02 GMT 2023 , Edited by admin on Sat Dec 16 14:51:02 GMT 2023
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EPA CompTox
DTXSID40781048
Created by admin on Sat Dec 16 14:51:02 GMT 2023 , Edited by admin on Sat Dec 16 14:51:02 GMT 2023
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PUBCHEM
71356951
Created by admin on Sat Dec 16 14:51:02 GMT 2023 , Edited by admin on Sat Dec 16 14:51:02 GMT 2023
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