(2-ethyl-1,3-dioxolan-4-yl)sulfanylmethanol

C6H12O3S — CID 19861965

IUPAC(2-ethyl-1,3-dioxolan-4-yl)sulfanylmethanol
SMILESCCC1OCC(SCO)O1
InChIInChI=1S/C6H12O3S/c1-2-5-8-3-6(9-5)10-4-7/h5-7H,2-4H2,1H3
InChIKeyWZEYJEUIGAUHOJ-UHFFFAOYSA-N
MW164.23 g/mol
LogP0.78
Rot. Bonds3

About (2-ethyl-1,3-dioxolan-4-yl)sulfanylmethanol

(2-ethyl-1,3-dioxolan-4-yl)sulfanylmethanol (PubChem CID 19861965) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is (2-ethyl-1,3-dioxolan-4-yl)sulfanylmethanol.

Molecular Properties

Compound Name(2-ethyl-1,3-dioxolan-4-yl)sulfanylmethanol
PubChem CID19861965
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name(2-ethyl-1,3-dioxolan-4-yl)sulfanylmethanol
SMILESCCC1OCC(SCO)O1
InChIInChI=1S/C6H12O3S/c1-2-5-8-3-6(9-5)10-4-7/h5-7H,2-4H2,1H3
InChIKeyWZEYJEUIGAUHOJ-UHFFFAOYSA-N
XLogP0.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,3-Dioxolane, 4-methyl-2-[2-(methylthio)ethyl]-
CID 100927
(5-Ethoxy-1,3-oxathiolan-2-yl)methanol
CID 15168217
(2R)-2-(hydroxymethyl)-1,3-oxathiolan-5-ol
CID 170456158
2-Methyl-4-(methylsulfanylmethyl)-1,3-dioxolane
CID 12246125
2-[2-[1,3-Dioxolan-2-yl]ethylthio]ethanol
CID 19082181
2-(2-Methylsulfanylethyl)-1,3-dioxolan-4-ol
CID 19861962
2-[2-(Methylsulfanyl)ethyl]-1,3-dioxolane
CID 20398666
2-(1-Methylsulfanylethyl)-1,3-dioxolane
CID 20446334
2-(Methylsulfanylmethyl)-1,3-dioxolane
CID 20662577
2-Ethyl-1,3-oxathiolan-5-ol
CID 20744753
Actinium;2-ethyl-1,3-oxathiolan-5-ol
CID 20744758
2-(Ethylperoxymethyl)-1,3-oxathiolan-5-ol
CID 20744760

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,3-dioxolan-4-yl)sulfanylmethanol?
The IUPAC name of (2-ethyl-1,3-dioxolan-4-yl)sulfanylmethanol (CID 19861965) is (2-ethyl-1,3-dioxolan-4-yl)sulfanylmethanol.
What is the SMILES notation for (2-ethyl-1,3-dioxolan-4-yl)sulfanylmethanol?
The canonical SMILES for (2-ethyl-1,3-dioxolan-4-yl)sulfanylmethanol is CCC1OCC(SCO)O1.
What is the InChIKey of (2-ethyl-1,3-dioxolan-4-yl)sulfanylmethanol?
The InChIKey is WZEYJEUIGAUHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-2-5-8-3-6(9-5)10-4-7/h5-7H,2-4H2,1H3.
What are the key properties of (2-ethyl-1,3-dioxolan-4-yl)sulfanylmethanol?
(2-ethyl-1,3-dioxolan-4-yl)sulfanylmethanol has a molecular weight of 164.23 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,3-dioxolan-4-yl)sulfanylmethanol is sourced from PubChem (CID 19861965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).