2-ethylthietane 1-oxide

C5H10OS — CID 18989880

IUPAC2-ethylthietane 1-oxide
SMILESCCC1CCS1=O
InChIInChI=1S/C5H10OS/c1-2-5-3-4-7(5)6/h5H,2-4H2,1H3
InChIKeyKRKZJYHAEPJRAB-UHFFFAOYSA-N
MW118.20 g/mol
LogP0.92
Rot. Bonds1

About 2-ethylthietane 1-oxide

2-ethylthietane 1-oxide (PubChem CID 18989880) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 2-ethylthietane 1-oxide.

Molecular Properties

Compound Name2-ethylthietane 1-oxide
PubChem CID18989880
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name2-ethylthietane 1-oxide
SMILESCCC1CCS1=O
InChIInChI=1S/C5H10OS/c1-2-5-3-4-7(5)6/h5H,2-4H2,1H3
InChIKeyKRKZJYHAEPJRAB-UHFFFAOYSA-N
XLogP0.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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 2-ethylthietane 1-oxide?
The IUPAC name of 2-ethylthietane 1-oxide (CID 18989880) is 2-ethylthietane 1-oxide.
What is the SMILES notation for 2-ethylthietane 1-oxide?
The canonical SMILES for 2-ethylthietane 1-oxide is CCC1CCS1=O.
What is the InChIKey of 2-ethylthietane 1-oxide?
The InChIKey is KRKZJYHAEPJRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c1-2-5-3-4-7(5)6/h5H,2-4H2,1H3.
What are the key properties of 2-ethylthietane 1-oxide?
2-ethylthietane 1-oxide has a molecular weight of 118.20 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylthietane 1-oxide is sourced from PubChem (CID 18989880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).