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Details

Stereochemistry ACHIRAL
Molecular Formula C10H20O2S
Molecular Weight 204.33
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(METHYLTHIO)PROPYL HEXANOATE

SMILES

CCCCCC(=O)OCCCSC

InChI

InChIKey=NZDCNAMVIRTJPL-UHFFFAOYSA-N
InChI=1S/C10H20O2S/c1-3-4-5-7-10(11)12-8-6-9-13-2/h3-9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C10H20O2S
Molecular Weight 204.33
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 01:02:35 GMT 2023
Edited
by admin
on Sat Dec 16 01:02:35 GMT 2023
Record UNII
WTB5202V59
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(METHYLTHIO)PROPYL HEXANOATE
Systematic Name English
3-METHYLSULFANYLPROPYL HEXANOATE
Systematic Name English
HEXANOIC ACID, 3-(METHYLTHIO)PROPYL ESTER
Common Name English
FEMA NO. 4436
Code English
METHIONYL HEXANOATE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 3-(METHYLTHIO)PROPYL HEXANOATE
Created by admin on Sat Dec 16 01:02:35 GMT 2023 , Edited by admin on Sat Dec 16 01:02:35 GMT 2023
Code System Code Type Description
PUBCHEM
46779102
Created by admin on Sat Dec 16 01:02:35 GMT 2023 , Edited by admin on Sat Dec 16 01:02:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID70238217
Created by admin on Sat Dec 16 01:02:35 GMT 2023 , Edited by admin on Sat Dec 16 01:02:35 GMT 2023
PRIMARY
FDA UNII
WTB5202V59
Created by admin on Sat Dec 16 01:02:35 GMT 2023 , Edited by admin on Sat Dec 16 01:02:35 GMT 2023
PRIMARY
CAS
906079-63-8
Created by admin on Sat Dec 16 01:02:35 GMT 2023 , Edited by admin on Sat Dec 16 01:02:35 GMT 2023
PRIMARY
JECFA MONOGRAPH
1919
Created by admin on Sat Dec 16 01:02:35 GMT 2023 , Edited by admin on Sat Dec 16 01:02:35 GMT 2023
PRIMARY