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Details

Stereochemistry ACHIRAL
Molecular Formula C5H4O2S.C2H7NO
Molecular Weight 189.232
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHANOLAMINE THENOATE

SMILES

NCCO.OC(=O)C1=CC=CS1

InChI

InChIKey=BUXYWKIBCKLDCG-UHFFFAOYSA-N
InChI=1S/C5H4O2S.C2H7NO/c6-5(7)4-2-1-3-8-4;3-1-2-4/h1-3H,(H,6,7);4H,1-3H2

HIDE SMILES / InChI

Molecular Formula C5H4O2S
Molecular Weight 128.149
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C2H7NO
Molecular Weight 61.0831
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
V14XF1PJUF
Record Status Validated (UNII)
Record Version