(2E)-2-(1,1-dioxothiolan-3-ylidene)ethanol

C6H10O3S — CID 115012766

IUPAC(2E)-2-(1,1-dioxothiolan-3-ylidene)ethanol
SMILESO=S1(=O)CC/C(=C\CO)C1
InChIInChI=1S/C6H10O3S/c7-3-1-6-2-4-10(8,9)5-6/h1,7H,2-5H2/b6-1+
InChIKeyBINAKLNDLBREKA-LZCJLJQNSA-N
MW162.21 g/mol
LogP-0.28
Rot. Bonds1

About (2E)-2-(1,1-dioxothiolan-3-ylidene)ethanol

(2E)-2-(1,1-dioxothiolan-3-ylidene)ethanol (PubChem CID 115012766) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is (2E)-2-(1,1-dioxothiolan-3-ylidene)ethanol.

Molecular Properties

Compound Name(2E)-2-(1,1-dioxothiolan-3-ylidene)ethanol
PubChem CID115012766
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name(2E)-2-(1,1-dioxothiolan-3-ylidene)ethanol
SMILESO=S1(=O)CC/C(=C\CO)C1
InChIInChI=1S/C6H10O3S/c7-3-1-6-2-4-10(8,9)5-6/h1,7H,2-5H2/b6-1+
InChIKeyBINAKLNDLBREKA-LZCJLJQNSA-N
XLogP-0.28
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(1,1-dioxothiolan-3-ylidene)ethanol?
The IUPAC name of (2E)-2-(1,1-dioxothiolan-3-ylidene)ethanol (CID 115012766) is (2E)-2-(1,1-dioxothiolan-3-ylidene)ethanol.
What is the SMILES notation for (2E)-2-(1,1-dioxothiolan-3-ylidene)ethanol?
The canonical SMILES for (2E)-2-(1,1-dioxothiolan-3-ylidene)ethanol is O=S1(=O)CC/C(=C\CO)C1.
What is the InChIKey of (2E)-2-(1,1-dioxothiolan-3-ylidene)ethanol?
The InChIKey is BINAKLNDLBREKA-LZCJLJQNSA-N. The full InChI is InChI=1S/C6H10O3S/c7-3-1-6-2-4-10(8,9)5-6/h1,7H,2-5H2/b6-1+.
What are the key properties of (2E)-2-(1,1-dioxothiolan-3-ylidene)ethanol?
(2E)-2-(1,1-dioxothiolan-3-ylidene)ethanol has a molecular weight of 162.21 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1,1-dioxothiolan-3-ylidene)ethanol is sourced from PubChem (CID 115012766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).