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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 2-Mercaptoethyl heptanoate

SMILES

CCCCCCC(=O)OCCS

InChI

InChIKey=RAQXZZCIQKGGNI-UHFFFAOYSA-N
InChI=1S/C9H18O2S/c1-2-3-4-5-6-9(10)11-7-8-12/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 12:17:39 GMT 2023
Edited
by admin
on Sat Dec 16 12:17:39 GMT 2023
Record UNII
M983UPE37D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Mercaptoethyl heptanoate
Systematic Name English
Heptanoic acid, 2-mercaptoethyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
89898
Created by admin on Sat Dec 16 12:17:39 GMT 2023 , Edited by admin on Sat Dec 16 12:17:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID9066839
Created by admin on Sat Dec 16 12:17:39 GMT 2023 , Edited by admin on Sat Dec 16 12:17:39 GMT 2023
PRIMARY
ECHA (EC/EINECS)
245-317-7
Created by admin on Sat Dec 16 12:17:39 GMT 2023 , Edited by admin on Sat Dec 16 12:17:39 GMT 2023
PRIMARY
CAS
22909-87-1
Created by admin on Sat Dec 16 12:17:39 GMT 2023 , Edited by admin on Sat Dec 16 12:17:39 GMT 2023
PRIMARY
FDA UNII
M983UPE37D
Created by admin on Sat Dec 16 12:17:39 GMT 2023 , Edited by admin on Sat Dec 16 12:17:39 GMT 2023
PRIMARY