2-(thian-3-yl)oxane

C10H18OS — CID 54354860

IUPAC2-(thian-3-yl)oxane
SMILESC1CCC(C2CCCSC2)OC1
InChIInChI=1S/C10H18OS/c1-2-6-11-10(5-1)9-4-3-7-12-8-9/h9-10H,1-8H2
InChIKeyIZYJABWKHNEHNL-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.70
Rot. Bonds1

About 2-(thian-3-yl)oxane

2-(thian-3-yl)oxane (PubChem CID 54354860) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-(thian-3-yl)oxane.

Molecular Properties

Compound Name2-(thian-3-yl)oxane
PubChem CID54354860
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name2-(thian-3-yl)oxane
SMILESC1CCC(C2CCCSC2)OC1
InChIInChI=1S/C10H18OS/c1-2-6-11-10(5-1)9-4-3-7-12-8-9/h9-10H,1-8H2
InChIKeyIZYJABWKHNEHNL-UHFFFAOYSA-N
XLogP2.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(thian-3-yl)oxane?
The IUPAC name of 2-(thian-3-yl)oxane (CID 54354860) is 2-(thian-3-yl)oxane.
What is the SMILES notation for 2-(thian-3-yl)oxane?
The canonical SMILES for 2-(thian-3-yl)oxane is C1CCC(C2CCCSC2)OC1.
What is the InChIKey of 2-(thian-3-yl)oxane?
The InChIKey is IZYJABWKHNEHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-2-6-11-10(5-1)9-4-3-7-12-8-9/h9-10H,1-8H2.
What are the key properties of 2-(thian-3-yl)oxane?
2-(thian-3-yl)oxane has a molecular weight of 186.32 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thian-3-yl)oxane is sourced from PubChem (CID 54354860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).