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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H18OS
Molecular Weight 162.293
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-METHOXY-3-HEPTANETHIOL, (3S)-

SMILES

CCCC[C@H](S)CCOC

InChI

InChIKey=HRYCNFLXCKVTER-QMMMGPOBSA-N
InChI=1S/C8H18OS/c1-3-4-5-8(10)6-7-9-2/h8,10H,3-7H2,1-2H3/t8-/m0/s1

HIDE SMILES / InChI

Approval Year

Patents
Name Type Language
1-METHOXY-3-HEPTANETHIOL, (3S)-
Systematic Name English
FEMA NO. 4162
Preferred Name English
3-HEPTANETHIOL, 1-METHOXY-, (3S)-
Systematic Name English
(S1)-1-METHOXY-3-HEPTANETHIOL [FHFI]
Common Name English
(S)-1-METHOXY-3-HEPTANETHIOL
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION (S)-1-METHOXY-3-HEPTANETHIOL
Created by admin on Mon Mar 31 20:07:24 GMT 2025 , Edited by admin on Mon Mar 31 20:07:24 GMT 2025
Code System Code Type Description
JECFA MONOGRAPH
1659
Created by admin on Mon Mar 31 20:07:24 GMT 2025 , Edited by admin on Mon Mar 31 20:07:24 GMT 2025
PRIMARY
EPA CompTox
DTXSID30193075
Created by admin on Mon Mar 31 20:07:24 GMT 2025 , Edited by admin on Mon Mar 31 20:07:24 GMT 2025
PRIMARY
PUBCHEM
12009861
Created by admin on Mon Mar 31 20:07:24 GMT 2025 , Edited by admin on Mon Mar 31 20:07:24 GMT 2025
PRIMARY
FDA UNII
7QSJ4T5U48
Created by admin on Mon Mar 31 20:07:24 GMT 2025 , Edited by admin on Mon Mar 31 20:07:24 GMT 2025
PRIMARY
CAS
400052-49-5
Created by admin on Mon Mar 31 20:07:24 GMT 2025 , Edited by admin on Mon Mar 31 20:07:24 GMT 2025
PRIMARY