6-propan-2-yloxythian-3-ol

C8H16O2S — CID 91169772

IUPAC6-propan-2-yloxythian-3-ol
SMILESCC(C)OC1CCC(O)CS1
InChIInChI=1S/C8H16O2S/c1-6(2)10-8-4-3-7(9)5-11-8/h6-9H,3-5H2,1-2H3
InChIKeySTEMZIMGWVKHOA-UHFFFAOYSA-N
MW176.28 g/mol
LogP1.63
Rot. Bonds2

About 6-propan-2-yloxythian-3-ol

6-propan-2-yloxythian-3-ol (PubChem CID 91169772) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is 6-propan-2-yloxythian-3-ol.

Molecular Properties

Compound Name6-propan-2-yloxythian-3-ol
PubChem CID91169772
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Name6-propan-2-yloxythian-3-ol
SMILESCC(C)OC1CCC(O)CS1
InChIInChI=1S/C8H16O2S/c1-6(2)10-8-4-3-7(9)5-11-8/h6-9H,3-5H2,1-2H3
InChIKeySTEMZIMGWVKHOA-UHFFFAOYSA-N
XLogP1.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxythian-3-ol?
The IUPAC name of 6-propan-2-yloxythian-3-ol (CID 91169772) is 6-propan-2-yloxythian-3-ol.
What is the SMILES notation for 6-propan-2-yloxythian-3-ol?
The canonical SMILES for 6-propan-2-yloxythian-3-ol is CC(C)OC1CCC(O)CS1.
What is the InChIKey of 6-propan-2-yloxythian-3-ol?
The InChIKey is STEMZIMGWVKHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S/c1-6(2)10-8-4-3-7(9)5-11-8/h6-9H,3-5H2,1-2H3.
What are the key properties of 6-propan-2-yloxythian-3-ol?
6-propan-2-yloxythian-3-ol has a molecular weight of 176.28 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxythian-3-ol is sourced from PubChem (CID 91169772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).