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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H14O2S
Molecular Weight 174.261
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

CCC[C@H](CC=O)SC(C)=O

InChI

InChIKey=OQUGQLWJRJXLOV-MRVPVSSYSA-N
InChI=1S/C8H14O2S/c1-3-4-8(5-6-9)11-7(2)10/h6,8H,3-5H2,1-2H3/t8-/m1/s1

HIDE SMILES / InChI

Molecular Formula C8H14O2S
Molecular Weight 174.261
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:11:25 GMT 2023
Edited
by admin
on Sat Dec 16 15:11:25 GMT 2023
Record UNII
OK444P08M3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(ACETYLTHIO)HEXANAL, (3R)-
Systematic Name English
FEMA NO. 4791, R-
Code English
ETHANETHIOIC ACID, S-((1R)-1-(2-OXOETHYL)BUTYL) ESTER
Systematic Name English
Code System Code Type Description
CAS
577969-17-6
Created by admin on Sat Dec 16 15:11:25 GMT 2023 , Edited by admin on Sat Dec 16 15:11:25 GMT 2023
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FDA UNII
OK444P08M3
Created by admin on Sat Dec 16 15:11:25 GMT 2023 , Edited by admin on Sat Dec 16 15:11:25 GMT 2023
PRIMARY
PUBCHEM
146048032
Created by admin on Sat Dec 16 15:11:25 GMT 2023 , Edited by admin on Sat Dec 16 15:11:25 GMT 2023
PRIMARY