6-phenyl-1,4-oxathian-2-one

C10H10O2S — CID 568928

IUPAC6-phenyl-1,4-oxathian-2-one
SMILESO=C1CSCC(c2ccccc2)O1
InChIInChI=1S/C10H10O2S/c11-10-7-13-6-9(12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeySPYHJJYHOOPZBK-UHFFFAOYSA-N
MW194.26 g/mol
LogP2.02
Rot. Bonds1

About 6-phenyl-1,4-oxathian-2-one

6-phenyl-1,4-oxathian-2-one (PubChem CID 568928) has the molecular formula C10H10O2S and a molecular weight of 194.26 g/mol. Its IUPAC name is 6-phenyl-1,4-oxathian-2-one.

Molecular Properties

Compound Name6-phenyl-1,4-oxathian-2-one
PubChem CID568928
Molecular FormulaC10H10O2S
Molecular Weight194.26 g/mol
Exact Mass194.04
IUPAC Name6-phenyl-1,4-oxathian-2-one
SMILESO=C1CSCC(c2ccccc2)O1
InChIInChI=1S/C10H10O2S/c11-10-7-13-6-9(12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeySPYHJJYHOOPZBK-UHFFFAOYSA-N
XLogP2.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1,4-oxathian-2-one?
The IUPAC name of 6-phenyl-1,4-oxathian-2-one (CID 568928) is 6-phenyl-1,4-oxathian-2-one.
What is the SMILES notation for 6-phenyl-1,4-oxathian-2-one?
The canonical SMILES for 6-phenyl-1,4-oxathian-2-one is O=C1CSCC(c2ccccc2)O1.
What is the InChIKey of 6-phenyl-1,4-oxathian-2-one?
The InChIKey is SPYHJJYHOOPZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c11-10-7-13-6-9(12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 6-phenyl-1,4-oxathian-2-one?
6-phenyl-1,4-oxathian-2-one has a molecular weight of 194.26 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1,4-oxathian-2-one is sourced from PubChem (CID 568928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).