2-[(3S)-1,1-dioxothiolan-3-yl]ethanol

C6H12O3S — CID 39871724

IUPAC2-[(3S)-1,1-dioxothiolan-3-yl]ethanol
SMILESO=S1(=O)CC[C@H](CCO)C1
InChIInChI=1S/C6H12O3S/c7-3-1-6-2-4-10(8,9)5-6/h6-7H,1-5H2/t6-/m0/s1
InChIKeyVTZBGOGKRKZJJY-LURJTMIESA-N
MW164.23 g/mol
LogP-0.20
Rot. Bonds2

About 2-[(3S)-1,1-dioxothiolan-3-yl]ethanol

2-[(3S)-1,1-dioxothiolan-3-yl]ethanol (PubChem CID 39871724) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is 2-[(3S)-1,1-dioxothiolan-3-yl]ethanol.

Molecular Properties

Compound Name2-[(3S)-1,1-dioxothiolan-3-yl]ethanol
PubChem CID39871724
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name2-[(3S)-1,1-dioxothiolan-3-yl]ethanol
SMILESO=S1(=O)CC[C@H](CCO)C1
InChIInChI=1S/C6H12O3S/c7-3-1-6-2-4-10(8,9)5-6/h6-7H,1-5H2/t6-/m0/s1
InChIKeyVTZBGOGKRKZJJY-LURJTMIESA-N
XLogP-0.20
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,1-dioxothiolan-3-yl)-2-methylbutan-2-ol
CID 84739893
2-[(3R)-1,1-dioxothiolan-3-yl]-N-methylethanamine
CID 94460979
3-[(3S)-1,1-dioxothiolan-3-yl]propanenitrile
CID 52904792
2-[(3S)-1,1-dioxothiolan-3-yl]-N-methylethanamine
CID 94460980
3-(2-nitroethyl)thiolane 1,1-dioxide
CID 105446926
methyl N-[2-(1,1-dioxothiolan-3-yl)ethyl]carbamate
CID 110722962
N-cyclobutyl-2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxypropyl)acetamide
CID 102867055
3-(1,1-dioxothiolan-3-yl)-N-methoxypropanamide
CID 110421169
N-[(1,1-dioxothiolan-3-yl)methyl]-5-hydroxypentanamide
CID 79210223
(2S)-3-[(1,1-dioxothiolan-3-yl)methylamino]propane-1,2-diol
CID 61150575
N-[2-(1,1-dioxothiolan-3-yl)ethyl]-2,2-difluoroethanamine
CID 115407013
[2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-thiazol-4-yl]methanol
CID 115087903

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]ethanol?
The IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]ethanol (CID 39871724) is 2-[(3S)-1,1-dioxothiolan-3-yl]ethanol.
What is the SMILES notation for 2-[(3S)-1,1-dioxothiolan-3-yl]ethanol?
The canonical SMILES for 2-[(3S)-1,1-dioxothiolan-3-yl]ethanol is O=S1(=O)CC[C@H](CCO)C1.
What is the InChIKey of 2-[(3S)-1,1-dioxothiolan-3-yl]ethanol?
The InChIKey is VTZBGOGKRKZJJY-LURJTMIESA-N. The full InChI is InChI=1S/C6H12O3S/c7-3-1-6-2-4-10(8,9)5-6/h6-7H,1-5H2/t6-/m0/s1.
What are the key properties of 2-[(3S)-1,1-dioxothiolan-3-yl]ethanol?
2-[(3S)-1,1-dioxothiolan-3-yl]ethanol has a molecular weight of 164.23 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1,1-dioxothiolan-3-yl]ethanol is sourced from PubChem (CID 39871724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).