(3S)-1,1-dioxo-2,3-dihydrothiophen-3-ol

C4H6O3S — CID 7059040

IUPAC(3S)-1,1-dioxo-2,3-dihydrothiophen-3-ol
SMILESO=S1(=O)C=C[C@H](O)C1
InChIInChI=1S/C4H6O3S/c5-4-1-2-8(6,7)3-4/h1-2,4-5H,3H2/t4-/m0/s1
InChIKeyUGEUCEAIWUTYIC-BYPYZUCNSA-N
MW134.16 g/mol
LogP-0.71
Rot. Bonds

About (3S)-1,1-dioxo-2,3-dihydrothiophen-3-ol

(3S)-1,1-dioxo-2,3-dihydrothiophen-3-ol (PubChem CID 7059040) has the molecular formula C4H6O3S and a molecular weight of 134.16 g/mol. Its IUPAC name is (3S)-1,1-dioxo-2,3-dihydrothiophen-3-ol.

Molecular Properties

Compound Name(3S)-1,1-dioxo-2,3-dihydrothiophen-3-ol
PubChem CID7059040
Molecular FormulaC4H6O3S
Molecular Weight134.16 g/mol
Exact Mass134.00
IUPAC Name(3S)-1,1-dioxo-2,3-dihydrothiophen-3-ol
SMILESO=S1(=O)C=C[C@H](O)C1
InChIInChI=1S/C4H6O3S/c5-4-1-2-8(6,7)3-4/h1-2,4-5H,3H2/t4-/m0/s1
InChIKeyUGEUCEAIWUTYIC-BYPYZUCNSA-N
XLogP-0.71
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.16
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1,1-dioxo-2,3-dihydrothiophen-3-ol?
The IUPAC name of (3S)-1,1-dioxo-2,3-dihydrothiophen-3-ol (CID 7059040) is (3S)-1,1-dioxo-2,3-dihydrothiophen-3-ol.
What is the SMILES notation for (3S)-1,1-dioxo-2,3-dihydrothiophen-3-ol?
The canonical SMILES for (3S)-1,1-dioxo-2,3-dihydrothiophen-3-ol is O=S1(=O)C=C[C@H](O)C1.
What is the InChIKey of (3S)-1,1-dioxo-2,3-dihydrothiophen-3-ol?
The InChIKey is UGEUCEAIWUTYIC-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H6O3S/c5-4-1-2-8(6,7)3-4/h1-2,4-5H,3H2/t4-/m0/s1.
What are the key properties of (3S)-1,1-dioxo-2,3-dihydrothiophen-3-ol?
(3S)-1,1-dioxo-2,3-dihydrothiophen-3-ol has a molecular weight of 134.16 g/mol, XLogP of -0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,1-dioxo-2,3-dihydrothiophen-3-ol is sourced from PubChem (CID 7059040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).