U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

Molecular Formula C8H18OS
Molecular Weight 162.293
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 Fri Dec 15 20:19:01 UTC 2023
Edited
by admin
on Fri Dec 15 20:19:01 UTC 2023
Record UNII
7QSJ4T5U48
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-METHOXY-3-HEPTANETHIOL, (3S)-
Systematic 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
FEMA NO. 4162
Code English
Classification Tree Code System Code
JECFA EVALUATION (S)-1-METHOXY-3-HEPTANETHIOL
Created by admin on Fri Dec 15 20:19:01 UTC 2023 , Edited by admin on Fri Dec 15 20:19:01 UTC 2023
Code System Code Type Description
JECFA MONOGRAPH
1659
Created by admin on Fri Dec 15 20:19:01 UTC 2023 , Edited by admin on Fri Dec 15 20:19:01 UTC 2023
PRIMARY
EPA CompTox
DTXSID30193075
Created by admin on Fri Dec 15 20:19:01 UTC 2023 , Edited by admin on Fri Dec 15 20:19:01 UTC 2023
PRIMARY
PUBCHEM
12009861
Created by admin on Fri Dec 15 20:19:01 UTC 2023 , Edited by admin on Fri Dec 15 20:19:01 UTC 2023
PRIMARY
FDA UNII
7QSJ4T5U48
Created by admin on Fri Dec 15 20:19:01 UTC 2023 , Edited by admin on Fri Dec 15 20:19:01 UTC 2023
PRIMARY
CAS
400052-49-5
Created by admin on Fri Dec 15 20:19:01 UTC 2023 , Edited by admin on Fri Dec 15 20:19:01 UTC 2023
PRIMARY