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Details

Stereochemistry ACHIRAL
Molecular Formula C7H14OS
Molecular Weight 146.25
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-MERCAPTO-5-METHYL-3-HEXANONE

SMILES

CCC(=O)CC(C)(C)S

InChI

InChIKey=KTTLFUWDFUJAKG-UHFFFAOYSA-N
InChI=1S/C7H14OS/c1-4-6(8)5-7(2,3)9/h9H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C7H14OS
Molecular Weight 146.25
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
O8EKS05EQV
Record Status Validated (UNII)
Record Version