2-[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol

C9H16O3S — CID 117168347

IUPAC2-[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol
SMILESOCCC1COC(C2CCSC2)O1
InChIInChI=1S/C9H16O3S/c10-3-1-8-5-11-9(12-8)7-2-4-13-6-7/h7-10H,1-6H2
InChIKeyRVNZDBPLQUWVJL-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.86
Rot. Bonds3

About 2-[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol

2-[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol (PubChem CID 117168347) has the molecular formula C9H16O3S and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol
PubChem CID117168347
Molecular FormulaC9H16O3S
Molecular Weight204.29 g/mol
Exact Mass204.08
IUPAC Name2-[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol
SMILESOCCC1COC(C2CCSC2)O1
InChIInChI=1S/C9H16O3S/c10-3-1-8-5-11-9(12-8)7-2-4-13-6-7/h7-10H,1-6H2
InChIKeyRVNZDBPLQUWVJL-UHFFFAOYSA-N
XLogP0.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of 2-[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol (CID 117168347) is 2-[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for 2-[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for 2-[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol is OCCC1COC(C2CCSC2)O1.
What is the InChIKey of 2-[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol?
The InChIKey is RVNZDBPLQUWVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3S/c10-3-1-8-5-11-9(12-8)7-2-4-13-6-7/h7-10H,1-6H2.
What are the key properties of 2-[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol?
2-[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol has a molecular weight of 204.29 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 117168347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).