1-[trimethyl(oxo)-λ6-sulfanyl]ethanol

C5H14O2S — CID 57097771

IUPAC1-[trimethyl(oxo)-λ6-sulfanyl]ethanol
SMILESCC(O)S(C)(C)(C)=O
InChIInChI=1S/C5H14O2S/c1-5(6)8(2,3,4)7/h5-6H,1-4H3
InChIKeyVOBVKOXXWNRCAE-UHFFFAOYSA-N
MW138.23 g/mol
LogP0.03
Rot. Bonds1

About 1-[trimethyl(oxo)-λ6-sulfanyl]ethanol

1-[trimethyl(oxo)-λ6-sulfanyl]ethanol (PubChem CID 57097771) has the molecular formula C5H14O2S and a molecular weight of 138.23 g/mol. Its IUPAC name is 1-[trimethyl(oxo)-λ6-sulfanyl]ethanol.

Molecular Properties

Compound Name1-[trimethyl(oxo)-λ6-sulfanyl]ethanol
PubChem CID57097771
Molecular FormulaC5H14O2S
Molecular Weight138.23 g/mol
Exact Mass138.07
IUPAC Name1-[trimethyl(oxo)-λ6-sulfanyl]ethanol
SMILESCC(O)S(C)(C)(C)=O
InChIInChI=1S/C5H14O2S/c1-5(6)8(2,3,4)7/h5-6H,1-4H3
InChIKeyVOBVKOXXWNRCAE-UHFFFAOYSA-N
XLogP0.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Ethylsulfonyl)ethanol
CID 10549
Thiodiglycol sulfoxide
CID 18330
2-(Methylsulfonyl)ethanol
CID 84834
Sulfonium, (2-hydroxyethyl)dimethyl-
CID 186058
2-(Ethanesulfinyl)ethanol
CID 352593
2-Hydroxyethyl-dimethylsulfoxonium
CID 130841
2-Methylsulfinylethanol
CID 302703
1-Propanol, 2-methyl-2-(methylsulfinyl)-
CID 213237
2-Methanesulfonylpropan-1-ol
CID 13039569
2-(S-methylsulfonimidoyl)ethanol
CID 137346593
2-(2-Hydroxyethylsulfinylsulfanyl)ethanol
CID 15642524
Methoxymethyl 2-hydroxyethyl sulfide
CID 542450

Frequently Asked Questions

What is the IUPAC name of 1-[trimethyl(oxo)-λ6-sulfanyl]ethanol?
The IUPAC name of 1-[trimethyl(oxo)-λ6-sulfanyl]ethanol (CID 57097771) is 1-[trimethyl(oxo)-λ6-sulfanyl]ethanol.
What is the SMILES notation for 1-[trimethyl(oxo)-λ6-sulfanyl]ethanol?
The canonical SMILES for 1-[trimethyl(oxo)-λ6-sulfanyl]ethanol is CC(O)S(C)(C)(C)=O.
What is the InChIKey of 1-[trimethyl(oxo)-λ6-sulfanyl]ethanol?
The InChIKey is VOBVKOXXWNRCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14O2S/c1-5(6)8(2,3,4)7/h5-6H,1-4H3.
What are the key properties of 1-[trimethyl(oxo)-λ6-sulfanyl]ethanol?
1-[trimethyl(oxo)-λ6-sulfanyl]ethanol has a molecular weight of 138.23 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[trimethyl(oxo)-λ6-sulfanyl]ethanol is sourced from PubChem (CID 57097771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).