4-(thian-3-yl)oxane

C10H18OS — CID 18791032

IUPAC4-(thian-3-yl)oxane
SMILESC1CSCC(C2CCOCC2)C1
InChIInChI=1S/C10H18OS/c1-2-10(8-12-7-1)9-3-5-11-6-4-9/h9-10H,1-8H2
InChIKeyWTDAISFHIFWWOI-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.56
Rot. Bonds1

About 4-(thian-3-yl)oxane

4-(thian-3-yl)oxane (PubChem CID 18791032) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 4-(thian-3-yl)oxane.

Molecular Properties

Compound Name4-(thian-3-yl)oxane
PubChem CID18791032
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name4-(thian-3-yl)oxane
SMILESC1CSCC(C2CCOCC2)C1
InChIInChI=1S/C10H18OS/c1-2-10(8-12-7-1)9-3-5-11-6-4-9/h9-10H,1-8H2
InChIKeyWTDAISFHIFWWOI-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(thian-3-yl)oxane?
The IUPAC name of 4-(thian-3-yl)oxane (CID 18791032) is 4-(thian-3-yl)oxane.
What is the SMILES notation for 4-(thian-3-yl)oxane?
The canonical SMILES for 4-(thian-3-yl)oxane is C1CSCC(C2CCOCC2)C1.
What is the InChIKey of 4-(thian-3-yl)oxane?
The InChIKey is WTDAISFHIFWWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-2-10(8-12-7-1)9-3-5-11-6-4-9/h9-10H,1-8H2.
What are the key properties of 4-(thian-3-yl)oxane?
4-(thian-3-yl)oxane has a molecular weight of 186.32 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thian-3-yl)oxane is sourced from PubChem (CID 18791032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).