4-decylsulfinyl-1,1-dioxothiolan-3-ol

C14H28O4S2 — CID 3053240

IUPAC4-decylsulfinyl-1,1-dioxothiolan-3-ol
SMILESCCCCCCCCCCS(=O)C1CS(=O)(=O)CC1O
InChIInChI=1S/C14H28O4S2/c1-2-3-4-5-6-7-8-9-10-19(16)14-12-20(17,18)11-13(14)15/h13-15H,2-12H2,1H3
InChIKeyUEZGXXLNDLFFHJ-UHFFFAOYSA-N
MW324.51 g/mol
LogP2.03
Rot. Bonds10

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

4-decylsulfinyl-1,1-dioxothiolan-3-ol (PubChem CID 3053240) has the molecular formula C14H28O4S2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 4-decylsulfinyl-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-decylsulfinyl-1,1-dioxothiolan-3-ol
PubChem CID3053240
Molecular FormulaC14H28O4S2
Molecular Weight324.51 g/mol
Exact Mass324.14
IUPAC Name4-decylsulfinyl-1,1-dioxothiolan-3-ol
SMILESCCCCCCCCCCS(=O)C1CS(=O)(=O)CC1O
InChIInChI=1S/C14H28O4S2/c1-2-3-4-5-6-7-8-9-10-19(16)14-12-20(17,18)11-13(14)15/h13-15H,2-12H2,1H3
InChIKeyUEZGXXLNDLFFHJ-UHFFFAOYSA-N
XLogP2.03
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-decylsulfinyl-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-decylsulfinyl-1,1-dioxothiolan-3-ol (CID 3053240) is 4-decylsulfinyl-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-decylsulfinyl-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-decylsulfinyl-1,1-dioxothiolan-3-ol is CCCCCCCCCCS(=O)C1CS(=O)(=O)CC1O.
What is the InChIKey of 4-decylsulfinyl-1,1-dioxothiolan-3-ol?
The InChIKey is UEZGXXLNDLFFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4S2/c1-2-3-4-5-6-7-8-9-10-19(16)14-12-20(17,18)11-13(14)15/h13-15H,2-12H2,1H3.
What are the key properties of 4-decylsulfinyl-1,1-dioxothiolan-3-ol?
4-decylsulfinyl-1,1-dioxothiolan-3-ol has a molecular weight of 324.51 g/mol, XLogP of 2.03, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decylsulfinyl-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 3053240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).