[2-(2-methylsulfanylethyl)-1,3-dioxolan-4-yl]methanol

C7H14O3S — CID 54234311

IUPAC[2-(2-methylsulfanylethyl)-1,3-dioxolan-4-yl]methanol
SMILESCSCCC1OCC(CO)O1
InChIInChI=1S/C7H14O3S/c1-11-3-2-7-9-5-6(4-8)10-7/h6-8H,2-5H2,1H3
InChIKeyQLLANIRWBAMTCC-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.47
Rot. Bonds4

About [2-(2-methylsulfanylethyl)-1,3-dioxolan-4-yl]methanol

[2-(2-methylsulfanylethyl)-1,3-dioxolan-4-yl]methanol (PubChem CID 54234311) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is [2-(2-methylsulfanylethyl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-(2-methylsulfanylethyl)-1,3-dioxolan-4-yl]methanol
PubChem CID54234311
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name[2-(2-methylsulfanylethyl)-1,3-dioxolan-4-yl]methanol
SMILESCSCCC1OCC(CO)O1
InChIInChI=1S/C7H14O3S/c1-11-3-2-7-9-5-6(4-8)10-7/h6-8H,2-5H2,1H3
InChIKeyQLLANIRWBAMTCC-UHFFFAOYSA-N
XLogP0.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylsulfanylethyl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-(2-methylsulfanylethyl)-1,3-dioxolan-4-yl]methanol (CID 54234311) is [2-(2-methylsulfanylethyl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-(2-methylsulfanylethyl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-(2-methylsulfanylethyl)-1,3-dioxolan-4-yl]methanol is CSCCC1OCC(CO)O1.
What is the InChIKey of [2-(2-methylsulfanylethyl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is QLLANIRWBAMTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c1-11-3-2-7-9-5-6(4-8)10-7/h6-8H,2-5H2,1H3.
What are the key properties of [2-(2-methylsulfanylethyl)-1,3-dioxolan-4-yl]methanol?
[2-(2-methylsulfanylethyl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 178.25 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylsulfanylethyl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 54234311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).