4-thiaspiro[2.5]octan-7-ol

C7H12OS — CID 82417792

IUPAC4-thiaspiro[2.5]octan-7-ol
SMILESOC1CCSC2(CC2)C1
InChIInChI=1S/C7H12OS/c8-6-1-4-9-7(5-6)2-3-7/h6,8H,1-5H2
InChIKeyXLZINZQLGWYLDR-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.41
Rot. Bonds

About 4-thiaspiro[2.5]octan-7-ol

4-thiaspiro[2.5]octan-7-ol (PubChem CID 82417792) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 4-thiaspiro[2.5]octan-7-ol.

Molecular Properties

Compound Name4-thiaspiro[2.5]octan-7-ol
PubChem CID82417792
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name4-thiaspiro[2.5]octan-7-ol
SMILESOC1CCSC2(CC2)C1
InChIInChI=1S/C7H12OS/c8-6-1-4-9-7(5-6)2-3-7/h6,8H,1-5H2
InChIKeyXLZINZQLGWYLDR-UHFFFAOYSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-thiaspiro[2.5]octan-7-ol?
The IUPAC name of 4-thiaspiro[2.5]octan-7-ol (CID 82417792) is 4-thiaspiro[2.5]octan-7-ol.
What is the SMILES notation for 4-thiaspiro[2.5]octan-7-ol?
The canonical SMILES for 4-thiaspiro[2.5]octan-7-ol is OC1CCSC2(CC2)C1.
What is the InChIKey of 4-thiaspiro[2.5]octan-7-ol?
The InChIKey is XLZINZQLGWYLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c8-6-1-4-9-7(5-6)2-3-7/h6,8H,1-5H2.
What are the key properties of 4-thiaspiro[2.5]octan-7-ol?
4-thiaspiro[2.5]octan-7-ol has a molecular weight of 144.24 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiaspiro[2.5]octan-7-ol is sourced from PubChem (CID 82417792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).