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Details

Stereochemistry ACHIRAL
Molecular Formula C9H18O2S
Molecular Weight 190.303
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEPTYL MERCAPTOACETATE

SMILES

CCCCCCCOC(=O)CS

InChI

InChIKey=GBJFQMKBFBYNPC-UHFFFAOYSA-N
InChI=1S/C9H18O2S/c1-2-3-4-5-6-7-11-9(10)8-12/h12H,2-8H2,1H3

HIDE SMILES / InChI

Molecular Formula C9H18O2S
Molecular Weight 190.303
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:36:00 GMT 2023
Edited
by admin
on Sat Dec 16 12:36:00 GMT 2023
Record UNII
KW7SB3CF8S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEPTYL MERCAPTOACETATE
Systematic Name English
ACETIC ACID, MERCAPTO-, HEPTYL ESTER
Systematic Name English
ACETIC ACID, 2-MERCAPTO-, HEPTYL ESTER
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID2068185
Created by admin on Sat Dec 16 12:36:00 GMT 2023 , Edited by admin on Sat Dec 16 12:36:00 GMT 2023
PRIMARY
ECHA (EC/EINECS)
254-530-4
Created by admin on Sat Dec 16 12:36:00 GMT 2023 , Edited by admin on Sat Dec 16 12:36:00 GMT 2023
PRIMARY
CAS
39583-10-3
Created by admin on Sat Dec 16 12:36:00 GMT 2023 , Edited by admin on Sat Dec 16 12:36:00 GMT 2023
PRIMARY
FDA UNII
KW7SB3CF8S
Created by admin on Sat Dec 16 12:36:00 GMT 2023 , Edited by admin on Sat Dec 16 12:36:00 GMT 2023
PRIMARY
PUBCHEM
170225
Created by admin on Sat Dec 16 12:36:00 GMT 2023 , Edited by admin on Sat Dec 16 12:36:00 GMT 2023
PRIMARY