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Details

Stereochemistry RACEMIC
Molecular Formula C8H16O2S
Molecular Weight 176.276
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Mercapto-3-methyl-1-pentyl acetate

SMILES

CCC(C)(S)CCOC(C)=O

InChI

InChIKey=DGIMHZHHCRFJDM-UHFFFAOYSA-N
InChI=1S/C8H16O2S/c1-4-8(3,11)5-6-10-7(2)9/h11H,4-6H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C8H16O2S
Molecular Weight 176.276
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 19:19:46 GMT 2023
Edited
by admin
on Sat Dec 16 19:19:46 GMT 2023
Record UNII
3Z9YF34D6E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Mercapto-3-methyl-1-pentyl acetate
Common Name English
FEMA NO. 4973
Code English
1-Pentanol, 3-mercapto-3-methyl-, 1-acetate
Systematic Name English
Code System Code Type Description
CAS
2411762-60-0
Created by admin on Sat Dec 16 19:19:46 GMT 2023 , Edited by admin on Sat Dec 16 19:19:46 GMT 2023
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FDA UNII
3Z9YF34D6E
Created by admin on Sat Dec 16 19:19:46 GMT 2023 , Edited by admin on Sat Dec 16 19:19:46 GMT 2023
PRIMARY
PUBCHEM
156690111
Created by admin on Sat Dec 16 19:19:46 GMT 2023 , Edited by admin on Sat Dec 16 19:19:46 GMT 2023
PRIMARY