4-ethenyl-1,1-dioxothiolan-3-ol

C6H10O3S — CID 14791440

IUPAC4-ethenyl-1,1-dioxothiolan-3-ol
SMILESC=CC1CS(=O)(=O)CC1O
InChIInChI=1S/C6H10O3S/c1-2-5-3-10(8,9)4-6(5)7/h2,5-7H,1,3-4H2
InChIKeyXWASPEJWMSEZMJ-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.42
Rot. Bonds1

About 4-ethenyl-1,1-dioxothiolan-3-ol

4-ethenyl-1,1-dioxothiolan-3-ol (PubChem CID 14791440) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 4-ethenyl-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-ethenyl-1,1-dioxothiolan-3-ol
PubChem CID14791440
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name4-ethenyl-1,1-dioxothiolan-3-ol
SMILESC=CC1CS(=O)(=O)CC1O
InChIInChI=1S/C6H10O3S/c1-2-5-3-10(8,9)4-6(5)7/h2,5-7H,1,3-4H2
InChIKeyXWASPEJWMSEZMJ-UHFFFAOYSA-N
XLogP-0.42
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 ≤ 5-0.42
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 4-ethenyl-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-ethenyl-1,1-dioxothiolan-3-ol (CID 14791440) is 4-ethenyl-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-ethenyl-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-ethenyl-1,1-dioxothiolan-3-ol is C=CC1CS(=O)(=O)CC1O.
What is the InChIKey of 4-ethenyl-1,1-dioxothiolan-3-ol?
The InChIKey is XWASPEJWMSEZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-2-5-3-10(8,9)4-6(5)7/h2,5-7H,1,3-4H2.
What are the key properties of 4-ethenyl-1,1-dioxothiolan-3-ol?
4-ethenyl-1,1-dioxothiolan-3-ol has a molecular weight of 162.21 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 14791440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).