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Details

Stereochemistry ABSOLUTE
Molecular Formula C7H16OS
Molecular Weight 148.266
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-METHOXYHEXANE-3-THIOL, (S)-

SMILES

CCC[C@H](S)CCOC

InChI

InChIKey=GTDLILFCRHJTRW-ZETCQYMHSA-N
InChI=1S/C7H16OS/c1-3-4-7(9)5-6-8-2/h7,9H,3-6H2,1-2H3/t7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C7H16OS
Molecular Weight 148.266
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 16:41:05 GMT 2025
Edited
by admin
on Tue Apr 01 16:41:05 GMT 2025
Record UNII
2168D3787J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-METHOXYHEXANE-3-THIOL, (S)-
Systematic Name English
3-HEXANETHIOL, 1-METHOXY-, (3S)-
Preferred Name English
Code System Code Type Description
CAS
449174-42-9
Created by admin on Tue Apr 01 16:41:05 GMT 2025 , Edited by admin on Tue Apr 01 16:41:05 GMT 2025
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FDA UNII
2168D3787J
Created by admin on Tue Apr 01 16:41:05 GMT 2025 , Edited by admin on Tue Apr 01 16:41:05 GMT 2025
PRIMARY
PUBCHEM
10920670
Created by admin on Tue Apr 01 16:41:05 GMT 2025 , Edited by admin on Tue Apr 01 16:41:05 GMT 2025
PRIMARY