1,5,2-dioxathiane

C3H6O2S — CID 153173261

IUPAC1,5,2-dioxathiane
SMILESC1CSOCO1
InChIInChI=1S/C3H6O2S/c1-2-6-5-3-4-1/h1-3H2
InChIKeyWEQOSMKGXSHJSJ-UHFFFAOYSA-N
MW106.15 g/mol
LogP0.64
Rot. Bonds

About 1,5,2-dioxathiane

1,5,2-dioxathiane (PubChem CID 153173261) has the molecular formula C3H6O2S and a molecular weight of 106.15 g/mol. Its IUPAC name is 1,5,2-dioxathiane.

Molecular Properties

Compound Name1,5,2-dioxathiane
PubChem CID153173261
Molecular FormulaC3H6O2S
Molecular Weight106.15 g/mol
Exact Mass106.01
IUPAC Name1,5,2-dioxathiane
SMILESC1CSOCO1
InChIInChI=1S/C3H6O2S/c1-2-6-5-3-4-1/h1-3H2
InChIKeyWEQOSMKGXSHJSJ-UHFFFAOYSA-N
XLogP0.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.15
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

oxathiane;1,4-oxathiane
CID 163516955
1,3,6,8-tetraoxecane
CID 19993864
1,4-oxathiane
CID 157277006
1,3-dioxolane;dithiolane
CID 159036653
1,4,7,13,16,19-hexaoxa-10,22-dithiacyclotetracosane
CID 520450
Borane 1,4-thioxane
CID 11137144
1-oxa-4,7,10,13-tetrathiacyclopentadecane
CID 12872708
1,4,7,10-tetraoxa-13-thiacyclopentadecane
CID 12661564
1,3,5,7,10,13-hexaoxacyclopentadecane
CID 15396088
1,3-dioxolane;ethane
CID 91327375
1,3-dioxolane;ethane
CID 90816519
oxathiane;sulfur trioxide
CID 70345174

Frequently Asked Questions

What is the IUPAC name of 1,5,2-dioxathiane?
The IUPAC name of 1,5,2-dioxathiane (CID 153173261) is 1,5,2-dioxathiane.
What is the SMILES notation for 1,5,2-dioxathiane?
The canonical SMILES for 1,5,2-dioxathiane is C1CSOCO1.
What is the InChIKey of 1,5,2-dioxathiane?
The InChIKey is WEQOSMKGXSHJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2S/c1-2-6-5-3-4-1/h1-3H2.
What are the key properties of 1,5,2-dioxathiane?
1,5,2-dioxathiane has a molecular weight of 106.15 g/mol, XLogP of 0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,2-dioxathiane is sourced from PubChem (CID 153173261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).