thiane 1-oxide

C5H10OS — CID 534965

IUPACthiane 1-oxide
SMILESO=S1CCCCC1
InChIInChI=1S/C5H10OS/c6-7-4-2-1-3-5-7/h1-5H2
InChIKeyNNLBRYQGMOYARS-UHFFFAOYSA-N
MW118.20 g/mol
LogP0.92
Rot. Bonds

About thiane 1-oxide

thiane 1-oxide (PubChem CID 534965) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is thiane 1-oxide.

Molecular Properties

Compound Namethiane 1-oxide
PubChem CID534965
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Namethiane 1-oxide
SMILESO=S1CCCCC1
InChIInChI=1S/C5H10OS/c6-7-4-2-1-3-5-7/h1-5H2
InChIKeyNNLBRYQGMOYARS-UHFFFAOYSA-N
XLogP0.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of thiane 1-oxide?
The IUPAC name of thiane 1-oxide (CID 534965) is thiane 1-oxide.
What is the SMILES notation for thiane 1-oxide?
The canonical SMILES for thiane 1-oxide is O=S1CCCCC1.
What is the InChIKey of thiane 1-oxide?
The InChIKey is NNLBRYQGMOYARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c6-7-4-2-1-3-5-7/h1-5H2.
What are the key properties of thiane 1-oxide?
thiane 1-oxide has a molecular weight of 118.20 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for thiane 1-oxide is sourced from PubChem (CID 534965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).