4-(oxolan-3-yl)thiolan-3-ol

C8H14O2S — CID 83191232

IUPAC4-(oxolan-3-yl)thiolan-3-ol
SMILESOC1CSCC1C1CCOC1
InChIInChI=1S/C8H14O2S/c9-8-5-11-4-7(8)6-1-2-10-3-6/h6-9H,1-5H2
InChIKeyRDHNJILOALGRLE-UHFFFAOYSA-N
MW174.26 g/mol
LogP0.75
Rot. Bonds1

About 4-(oxolan-3-yl)thiolan-3-ol

4-(oxolan-3-yl)thiolan-3-ol (PubChem CID 83191232) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 4-(oxolan-3-yl)thiolan-3-ol.

Molecular Properties

Compound Name4-(oxolan-3-yl)thiolan-3-ol
PubChem CID83191232
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name4-(oxolan-3-yl)thiolan-3-ol
SMILESOC1CSCC1C1CCOC1
InChIInChI=1S/C8H14O2S/c9-8-5-11-4-7(8)6-1-2-10-3-6/h6-9H,1-5H2
InChIKeyRDHNJILOALGRLE-UHFFFAOYSA-N
XLogP0.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-yl)thiolan-3-ol?
The IUPAC name of 4-(oxolan-3-yl)thiolan-3-ol (CID 83191232) is 4-(oxolan-3-yl)thiolan-3-ol.
What is the SMILES notation for 4-(oxolan-3-yl)thiolan-3-ol?
The canonical SMILES for 4-(oxolan-3-yl)thiolan-3-ol is OC1CSCC1C1CCOC1.
What is the InChIKey of 4-(oxolan-3-yl)thiolan-3-ol?
The InChIKey is RDHNJILOALGRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c9-8-5-11-4-7(8)6-1-2-10-3-6/h6-9H,1-5H2.
What are the key properties of 4-(oxolan-3-yl)thiolan-3-ol?
4-(oxolan-3-yl)thiolan-3-ol has a molecular weight of 174.26 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-yl)thiolan-3-ol is sourced from PubChem (CID 83191232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).