3-thiabicyclo[3.3.1]nonan-9-ol

C8H14OS — CID 91308315

IUPAC3-thiabicyclo[3.3.1]nonan-9-ol
SMILESOC1C2CCCC1CSC2
InChIInChI=1S/C8H14OS/c9-8-6-2-1-3-7(8)5-10-4-6/h6-9H,1-5H2
InChIKeyOAOPMWBVYYWUPP-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.51
Rot. Bonds

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

3-thiabicyclo[3.3.1]nonan-9-ol (PubChem CID 91308315) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 3-thiabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name3-thiabicyclo[3.3.1]nonan-9-ol
PubChem CID91308315
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name3-thiabicyclo[3.3.1]nonan-9-ol
SMILESOC1C2CCCC1CSC2
InChIInChI=1S/C8H14OS/c9-8-6-2-1-3-7(8)5-10-4-6/h6-9H,1-5H2
InChIKeyOAOPMWBVYYWUPP-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-thiabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of 3-thiabicyclo[3.3.1]nonan-9-ol (CID 91308315) is 3-thiabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for 3-thiabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for 3-thiabicyclo[3.3.1]nonan-9-ol is OC1C2CCCC1CSC2.
What is the InChIKey of 3-thiabicyclo[3.3.1]nonan-9-ol?
The InChIKey is OAOPMWBVYYWUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c9-8-6-2-1-3-7(8)5-10-4-6/h6-9H,1-5H2.
What are the key properties of 3-thiabicyclo[3.3.1]nonan-9-ol?
3-thiabicyclo[3.3.1]nonan-9-ol has a molecular weight of 158.27 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 91308315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).