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

Details

Stereochemistry ABSOLUTE
Molecular Formula C8H14O2S
Molecular Weight 174.261
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,5-DIMETHYL-3-THIOACETOXY-TETRAHYDROFURAN, (2S,3S,5S)-

SMILES

C[C@H]1C[C@H](SC(C)=O)[C@H](C)O1

InChI

InChIKey=VBWDDFZWJNZAEV-HAFWLYHUSA-N
InChI=1S/C8H14O2S/c1-5-4-8(6(2)10-5)11-7(3)9/h5-6,8H,4H2,1-3H3/t5-,6-,8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H14O2S
Molecular Weight 174.261
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:45:15 GMT 2023
Edited
by admin
on Fri Dec 15 19:45:15 GMT 2023
Record UNII
7N9MNF1X7W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,5-DIMETHYL-3-THIOACETOXY-TETRAHYDROFURAN, (2S,3S,5S)-
Systematic Name English
FEMA NO. 3972, (2S,3S,5S)-
Code English
S-((2S,3S,5S)-2,5-DIMETHYLTETRAHYDROFURAN-3-YL) ETHANETHIOATE
Systematic Name English
Code System Code Type Description
PUBCHEM
76958230
Created by admin on Fri Dec 15 19:45:15 GMT 2023 , Edited by admin on Fri Dec 15 19:45:15 GMT 2023
PRIMARY
FDA UNII
7N9MNF1X7W
Created by admin on Fri Dec 15 19:45:15 GMT 2023 , Edited by admin on Fri Dec 15 19:45:15 GMT 2023
PRIMARY