9-thiabicyclo[3.3.1]nonan-3-ol

C8H14OS — CID 594008

IUPAC9-thiabicyclo[3.3.1]nonan-3-ol
SMILESOC1CC2CCCC(C1)S2
InChIInChI=1S/C8H14OS/c9-6-4-7-2-1-3-8(5-6)10-7/h6-9H,1-5H2
InChIKeyAYWRWDXDGTZKAG-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.80
Rot. Bonds

About 9-thiabicyclo[3.3.1]nonan-3-ol

9-thiabicyclo[3.3.1]nonan-3-ol (PubChem CID 594008) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 9-thiabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name9-thiabicyclo[3.3.1]nonan-3-ol
PubChem CID594008
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name9-thiabicyclo[3.3.1]nonan-3-ol
SMILESOC1CC2CCCC(C1)S2
InChIInChI=1S/C8H14OS/c9-6-4-7-2-1-3-8(5-6)10-7/h6-9H,1-5H2
InChIKeyAYWRWDXDGTZKAG-UHFFFAOYSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-thiabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 9-thiabicyclo[3.3.1]nonan-3-ol (CID 594008) is 9-thiabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 9-thiabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 9-thiabicyclo[3.3.1]nonan-3-ol is OC1CC2CCCC(C1)S2.
What is the InChIKey of 9-thiabicyclo[3.3.1]nonan-3-ol?
The InChIKey is AYWRWDXDGTZKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c9-6-4-7-2-1-3-8(5-6)10-7/h6-9H,1-5H2.
What are the key properties of 9-thiabicyclo[3.3.1]nonan-3-ol?
9-thiabicyclo[3.3.1]nonan-3-ol has a molecular weight of 158.27 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-thiabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 594008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).