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Details

Stereochemistry RACEMIC
Molecular Formula C12H24OS
Molecular Weight 216.383
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-PENTYL-4-PROPYL-1,3-OXATHIANE, CIS-

SMILES

CCCCC[C@H]1OCC[C@@H](CCC)S1

InChI

InChIKey=PBRQZDFWTQLQRQ-NEPJUHHUSA-N
InChI=1S/C12H24OS/c1-3-5-6-8-12-13-10-9-11(14-12)7-4-2/h11-12H,3-10H2,1-2H3/t11-,12+/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H24OS
Molecular Weight 216.383
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 00:48:37 GMT 2023
Edited
by admin
on Sat Dec 16 00:48:37 GMT 2023
Record UNII
755F47H05T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-PENTYL-4-PROPYL-1,3-OXATHIANE, CIS-
Systematic Name English
(±)-2-PENTYL-4-PROPYL-1,3-OXATHIANE, CIS-
Systematic Name English
FEMA NO. 4499, CIS-
Code English
2-PENTYL-4-PROPYL-1,3-OXATHIANE, CIS-(±)-
Systematic Name English
Code System Code Type Description
FDA UNII
755F47H05T
Created by admin on Sat Dec 16 00:48:37 GMT 2023 , Edited by admin on Sat Dec 16 00:48:37 GMT 2023
PRIMARY
PUBCHEM
76958685
Created by admin on Sat Dec 16 00:48:37 GMT 2023 , Edited by admin on Sat Dec 16 00:48:37 GMT 2023
PRIMARY