thietane 1-oxide

C3H6OS — CID 25747

IUPACthietane 1-oxide
SMILESO=S1CCC1
InChIInChI=1S/C3H6OS/c4-5-2-1-3-5/h1-3H2
InChIKeyGINSRDSEEGBTJO-UHFFFAOYSA-N
MW90.15 g/mol
LogP0.14
Rot. Bonds

About thietane 1-oxide

thietane 1-oxide (PubChem CID 25747) has the molecular formula C3H6OS and a molecular weight of 90.15 g/mol. Its IUPAC name is thietane 1-oxide.

Molecular Properties

Compound Namethietane 1-oxide
PubChem CID25747
Molecular FormulaC3H6OS
Molecular Weight90.15 g/mol
Exact Mass90.01
IUPAC Namethietane 1-oxide
SMILESO=S1CCC1
InChIInChI=1S/C3H6OS/c4-5-2-1-3-5/h1-3H2
InChIKeyGINSRDSEEGBTJO-UHFFFAOYSA-N
XLogP0.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.15
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of thietane 1-oxide?
The IUPAC name of thietane 1-oxide (CID 25747) is thietane 1-oxide.
What is the SMILES notation for thietane 1-oxide?
The canonical SMILES for thietane 1-oxide is O=S1CCC1.
What is the InChIKey of thietane 1-oxide?
The InChIKey is GINSRDSEEGBTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6OS/c4-5-2-1-3-5/h1-3H2.
What are the key properties of thietane 1-oxide?
thietane 1-oxide has a molecular weight of 90.15 g/mol, XLogP of 0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for thietane 1-oxide is sourced from PubChem (CID 25747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).