2-thiatricyclo[3.3.1.13,7]decan-4-ol

C9H14OS — CID 598357

IUPAC2-thiatricyclo[3.3.1.13,7]decan-4-ol
SMILESOC1C2CC3CC(C2)SC1C3
InChIInChI=1S/C9H14OS/c10-9-6-1-5-2-7(4-6)11-8(9)3-5/h5-10H,1-4H2
InChIKeyQYWXGQGTCFPNAY-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.65
Rot. Bonds

About 2-thiatricyclo[3.3.1.13,7]decan-4-ol

2-thiatricyclo[3.3.1.13,7]decan-4-ol (PubChem CID 598357) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-thiatricyclo[3.3.1.13,7]decan-4-ol.

Molecular Properties

Compound Name2-thiatricyclo[3.3.1.13,7]decan-4-ol
PubChem CID598357
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name2-thiatricyclo[3.3.1.13,7]decan-4-ol
SMILESOC1C2CC3CC(C2)SC1C3
InChIInChI=1S/C9H14OS/c10-9-6-1-5-2-7(4-6)11-8(9)3-5/h5-10H,1-4H2
InChIKeyQYWXGQGTCFPNAY-UHFFFAOYSA-N
XLogP1.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-thiatricyclo[3.3.1.13,7]decan-4-ol?
The IUPAC name of 2-thiatricyclo[3.3.1.13,7]decan-4-ol (CID 598357) is 2-thiatricyclo[3.3.1.13,7]decan-4-ol.
What is the SMILES notation for 2-thiatricyclo[3.3.1.13,7]decan-4-ol?
The canonical SMILES for 2-thiatricyclo[3.3.1.13,7]decan-4-ol is OC1C2CC3CC(C2)SC1C3.
What is the InChIKey of 2-thiatricyclo[3.3.1.13,7]decan-4-ol?
The InChIKey is QYWXGQGTCFPNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS/c10-9-6-1-5-2-7(4-6)11-8(9)3-5/h5-10H,1-4H2.
What are the key properties of 2-thiatricyclo[3.3.1.13,7]decan-4-ol?
2-thiatricyclo[3.3.1.13,7]decan-4-ol has a molecular weight of 170.28 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiatricyclo[3.3.1.13,7]decan-4-ol is sourced from PubChem (CID 598357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).