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Details

Stereochemistry ACHIRAL
Molecular Formula C13H28S
Molecular Weight 216.426
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(METHYLSULFANYL)DODECANE

SMILES

CCCCCCCCCCCCSC

InChI

InChIKey=KJWHJDGMOQJLGF-UHFFFAOYSA-N
InChI=1S/C13H28S/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h3-13H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C13H28S
Molecular Weight 216.426
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
New odourless protocols for efficient Pauson-Khand annulations.
2005-07-07
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:29:17 GMT 2025
Edited
by admin
on Mon Mar 31 22:29:17 GMT 2025
Record UNII
77BO1DV08U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-87889
Preferred Name English
1-(METHYLSULFANYL)DODECANE
Systematic Name English
1-METHYLTHIODODECANE
Systematic Name English
METHYL LAURYL SULFIDE
Systematic Name English
N-DODECYL METHYL SULFIDE
Systematic Name English
2-THIATETRADECANE
Systematic Name English
DODECYL METHYL SULPHIDE
Systematic Name English
METHYL DODECYL SULFIDE
Systematic Name English
DODECYL METHYL SULFIDE
Systematic Name English
SULFIDE, DODECYL METHYL
Systematic Name English
DODECANE, 1-(METHYLTHIO)-
Systematic Name English
Code System Code Type Description
FDA UNII
77BO1DV08U
Created by admin on Mon Mar 31 22:29:17 GMT 2025 , Edited by admin on Mon Mar 31 22:29:17 GMT 2025
PRIMARY
EPA CompTox
DTXSID2044929
Created by admin on Mon Mar 31 22:29:17 GMT 2025 , Edited by admin on Mon Mar 31 22:29:17 GMT 2025
PRIMARY
ECHA (EC/EINECS)
223-028-7
Created by admin on Mon Mar 31 22:29:17 GMT 2025 , Edited by admin on Mon Mar 31 22:29:17 GMT 2025
PRIMARY
CAS
3698-89-3
Created by admin on Mon Mar 31 22:29:17 GMT 2025 , Edited by admin on Mon Mar 31 22:29:17 GMT 2025
PRIMARY
NSC
87889
Created by admin on Mon Mar 31 22:29:17 GMT 2025 , Edited by admin on Mon Mar 31 22:29:17 GMT 2025
PRIMARY
PUBCHEM
77287
Created by admin on Mon Mar 31 22:29:17 GMT 2025 , Edited by admin on Mon Mar 31 22:29:17 GMT 2025
PRIMARY