(1S,4R,8R)-9-thiabicyclo[6.1.0]nonan-4-ol

C8H14OS — CID 100917495

IUPAC(1S,4R,8R)-9-thiabicyclo[6.1.0]nonan-4-ol
SMILESO[C@@H]1CCC[C@H]2S[C@H]2CC1
InChIInChI=1S/C8H14OS/c9-6-2-1-3-7-8(10-7)5-4-6/h6-9H,1-5H2/t6-,7-,8+/m1/s1
InChIKeyOEJJJUMIBZCITO-PRJMDXOYSA-N
MW158.27 g/mol
LogP1.80
Rot. Bonds

About (1S,4R,8R)-9-thiabicyclo[6.1.0]nonan-4-ol

(1S,4R,8R)-9-thiabicyclo[6.1.0]nonan-4-ol (PubChem CID 100917495) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is (1S,4R,8R)-9-thiabicyclo[6.1.0]nonan-4-ol.

Molecular Properties

Compound Name(1S,4R,8R)-9-thiabicyclo[6.1.0]nonan-4-ol
PubChem CID100917495
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name(1S,4R,8R)-9-thiabicyclo[6.1.0]nonan-4-ol
SMILESO[C@@H]1CCC[C@H]2S[C@H]2CC1
InChIInChI=1S/C8H14OS/c9-6-2-1-3-7-8(10-7)5-4-6/h6-9H,1-5H2/t6-,7-,8+/m1/s1
InChIKeyOEJJJUMIBZCITO-PRJMDXOYSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(1R,2R,8S)-9-thiabicyclo[6.1.0]nonan-2-ol
CID 15370338
(1R,4S,8S)-9-thiabicyclo[6.1.0]nonan-4-ol
CID 15370341
Thionan-3-ol
CID 21117322
(1S,2S,8R)-9-thiabicyclo[6.1.0]nonan-2-ol
CID 100917490
(1S,3R,8R)-9-thiabicyclo[6.1.0]nonan-3-ol
CID 100917491
(1R,3S,8S)-9-thiabicyclo[6.1.0]nonan-3-ol
CID 100917492
(1S,3S,8R)-9-thiabicyclo[6.1.0]nonan-3-ol
CID 100917493
(1R,3R,8S)-9-thiabicyclo[6.1.0]nonan-3-ol
CID 100917494
(1S,4S,8R)-9-thiabicyclo[6.1.0]nonan-4-ol
CID 100917496
(1S,8R)-9-thiabicyclo[6.1.0]nonan-2-ol
CID 101189747
(1R,8S)-9-thiabicyclo[6.1.0]nonan-2-ol
CID 101189748
9-Thiabicyclo[6.1.0]nonan-4-ol
CID 130128698

Frequently Asked Questions

What is the IUPAC name of (1S,4R,8R)-9-thiabicyclo[6.1.0]nonan-4-ol?
The IUPAC name of (1S,4R,8R)-9-thiabicyclo[6.1.0]nonan-4-ol (CID 100917495) is (1S,4R,8R)-9-thiabicyclo[6.1.0]nonan-4-ol.
What is the SMILES notation for (1S,4R,8R)-9-thiabicyclo[6.1.0]nonan-4-ol?
The canonical SMILES for (1S,4R,8R)-9-thiabicyclo[6.1.0]nonan-4-ol is O[C@@H]1CCC[C@H]2S[C@H]2CC1.
What is the InChIKey of (1S,4R,8R)-9-thiabicyclo[6.1.0]nonan-4-ol?
The InChIKey is OEJJJUMIBZCITO-PRJMDXOYSA-N. The full InChI is InChI=1S/C8H14OS/c9-6-2-1-3-7-8(10-7)5-4-6/h6-9H,1-5H2/t6-,7-,8+/m1/s1.
What are the key properties of (1S,4R,8R)-9-thiabicyclo[6.1.0]nonan-4-ol?
(1S,4R,8R)-9-thiabicyclo[6.1.0]nonan-4-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 (1S,4R,8R)-9-thiabicyclo[6.1.0]nonan-4-ol is sourced from PubChem (CID 100917495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).