3-butylthiolane 1-oxide

C8H16OS — CID 3363251

IUPAC3-butylthiolane 1-oxide
SMILESCCCCC1CCS(=O)C1
InChIInChI=1S/C8H16OS/c1-2-3-4-8-5-6-10(9)7-8/h8H,2-7H2,1H3
InChIKeyQVVQIIIFHZDBDL-UHFFFAOYSA-N
MW160.28 g/mol
LogP1.95
Rot. Bonds3

About 3-butylthiolane 1-oxide

3-butylthiolane 1-oxide (PubChem CID 3363251) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 3-butylthiolane 1-oxide.

Molecular Properties

Compound Name3-butylthiolane 1-oxide
PubChem CID3363251
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name3-butylthiolane 1-oxide
SMILESCCCCC1CCS(=O)C1
InChIInChI=1S/C8H16OS/c1-2-3-4-8-5-6-10(9)7-8/h8H,2-7H2,1H3
InChIKeyQVVQIIIFHZDBDL-UHFFFAOYSA-N
XLogP1.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butylthiolane 1-oxide?
The IUPAC name of 3-butylthiolane 1-oxide (CID 3363251) is 3-butylthiolane 1-oxide.
What is the SMILES notation for 3-butylthiolane 1-oxide?
The canonical SMILES for 3-butylthiolane 1-oxide is CCCCC1CCS(=O)C1.
What is the InChIKey of 3-butylthiolane 1-oxide?
The InChIKey is QVVQIIIFHZDBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-2-3-4-8-5-6-10(9)7-8/h8H,2-7H2,1H3.
What are the key properties of 3-butylthiolane 1-oxide?
3-butylthiolane 1-oxide has a molecular weight of 160.28 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylthiolane 1-oxide is sourced from PubChem (CID 3363251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).