(3S)-1,1-dioxothiolan-3-ol

C4H8O3S — CID 7059046

IUPAC(3S)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC[C@H](O)C1
InChIInChI=1S/C4H8O3S/c5-4-1-2-8(6,7)3-4/h4-5H,1-3H2/t4-/m0/s1
InChIKeyAMXKVIWWXBYXRS-BYPYZUCNSA-N
MW136.17 g/mol
LogP-0.83
Rot. Bonds

About (3S)-1,1-dioxothiolan-3-ol

(3S)-1,1-dioxothiolan-3-ol (PubChem CID 7059046) has the molecular formula C4H8O3S and a molecular weight of 136.17 g/mol. Its IUPAC name is (3S)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name(3S)-1,1-dioxothiolan-3-ol
PubChem CID7059046
Molecular FormulaC4H8O3S
Molecular Weight136.17 g/mol
Exact Mass136.02
IUPAC Name(3S)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC[C@H](O)C1
InChIInChI=1S/C4H8O3S/c5-4-1-2-8(6,7)3-4/h4-5H,1-3H2/t4-/m0/s1
InChIKeyAMXKVIWWXBYXRS-BYPYZUCNSA-N
XLogP-0.83
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1,1-dioxothiolan-3-ol?
The IUPAC name of (3S)-1,1-dioxothiolan-3-ol (CID 7059046) is (3S)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for (3S)-1,1-dioxothiolan-3-ol?
The canonical SMILES for (3S)-1,1-dioxothiolan-3-ol is O=S1(=O)CC[C@H](O)C1.
What is the InChIKey of (3S)-1,1-dioxothiolan-3-ol?
The InChIKey is AMXKVIWWXBYXRS-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H8O3S/c5-4-1-2-8(6,7)3-4/h4-5H,1-3H2/t4-/m0/s1.
What are the key properties of (3S)-1,1-dioxothiolan-3-ol?
(3S)-1,1-dioxothiolan-3-ol has a molecular weight of 136.17 g/mol, XLogP of -0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 7059046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).