2-(1,4-dioxan-2-yl)-1,4-dioxane;2-sulfanylethanol

C10H20O5S — CID 174944550

IUPAC2-(1,4-dioxan-2-yl)-1,4-dioxane;2-sulfanylethanol
SMILESC1COC(C2COCCO2)CO1.OCCS
InChIInChI=1S/C8H14O4.C2H6OS/c1-3-11-7(5-9-1)8-6-10-2-4-12-8;3-1-2-4/h7-8H,1-6H2;3-4H,1-2H2
InChIKeyJSNUZRFPGLMEHV-UHFFFAOYSA-N
MW252.33 g/mol
LogP-0.27
Rot. Bonds2

About 2-(1,4-dioxan-2-yl)-1,4-dioxane;2-sulfanylethanol

2-(1,4-dioxan-2-yl)-1,4-dioxane;2-sulfanylethanol (PubChem CID 174944550) has the molecular formula C10H20O5S and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-yl)-1,4-dioxane;2-sulfanylethanol.

Molecular Properties

Compound Name2-(1,4-dioxan-2-yl)-1,4-dioxane;2-sulfanylethanol
PubChem CID174944550
Molecular FormulaC10H20O5S
Molecular Weight252.33 g/mol
Exact Mass252.10
IUPAC Name2-(1,4-dioxan-2-yl)-1,4-dioxane;2-sulfanylethanol
SMILESC1COC(C2COCCO2)CO1.OCCS
InChIInChI=1S/C8H14O4.C2H6OS/c1-3-11-7(5-9-1)8-6-10-2-4-12-8;3-1-2-4/h7-8H,1-6H2;3-4H,1-2H2
InChIKeyJSNUZRFPGLMEHV-UHFFFAOYSA-N
XLogP-0.27
TPSA57.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-yl)-1,4-dioxane;2-sulfanylethanol?
The IUPAC name of 2-(1,4-dioxan-2-yl)-1,4-dioxane;2-sulfanylethanol (CID 174944550) is 2-(1,4-dioxan-2-yl)-1,4-dioxane;2-sulfanylethanol.
What is the SMILES notation for 2-(1,4-dioxan-2-yl)-1,4-dioxane;2-sulfanylethanol?
The canonical SMILES for 2-(1,4-dioxan-2-yl)-1,4-dioxane;2-sulfanylethanol is C1COC(C2COCCO2)CO1.OCCS.
What is the InChIKey of 2-(1,4-dioxan-2-yl)-1,4-dioxane;2-sulfanylethanol?
The InChIKey is JSNUZRFPGLMEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4.C2H6OS/c1-3-11-7(5-9-1)8-6-10-2-4-12-8;3-1-2-4/h7-8H,1-6H2;3-4H,1-2H2.
What are the key properties of 2-(1,4-dioxan-2-yl)-1,4-dioxane;2-sulfanylethanol?
2-(1,4-dioxan-2-yl)-1,4-dioxane;2-sulfanylethanol has a molecular weight of 252.33 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-yl)-1,4-dioxane;2-sulfanylethanol is sourced from PubChem (CID 174944550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).